Model name: model_name=EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324655771256
cohesive_energy=4.122759316663293
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.45904256417358e-19, -1.4631445522313819e-18, -2.2322165735541596e-18, -3.51796332233916e-18, -5.870647557003779e-18, -1.028618227324242e-17, -1.86470929724724e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.012742793979786851
Energy: 0.012994800404645629
Energy: 0.21445157428592587
Energy: 0.21440236655798678
Energy: 0.2154970355425156
Energy: 0.012910379667395647
Energy: 0.012994800404170875
Energy: 0.9278143868487693
Energy: 0.927834463339336
Energy: 0.2144422667695135
Energy: 0.9274121617067764
Energy: 0.21441212463303203
Energy: 0.2144515742869033
Energy: 0.9278344633005458
Energy: 0.9279254294795329
Energy: 0.012952446628182956
Energy: 0.21441228004465582
Energy: 0.9278053989241875
Energy: 0.21440236683359595
Energy: 0.21444226678967662
Energy: 0.012952446631617947
Energy: 0.012869139874546241
Energy: 0.2148917797451557
Energy: 0.21446604554914656
Energy: 0.21549703554204083
Energy: 0.9274123623944605
Energy: 0.21441228004415316
Energy: 0.21489177974563045
Energy: 0.9273172112711047
Energy: 0.21447059126346135
Energy: 0.012910379673790877
Energy: 0.21441212464286225
Energy: 0.9278053989236849
Energy: 0.2144659309256413
Energy: 0.2144705911981407
Energy: 0.012886828525800904

minimum gb energy = 0.012742793979786851 eV
minimum distance =  2.47172203737291 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.811859415813112
Energy: 1.2640093584823
Energy: 1.3199032973547962
Energy: 1.2262433889951092
Energy: 1.2694068260249354
Energy: 1.2627146906281272
Energy: 1.121829169687016
Energy: 1.317509308097947
Energy: 1.2140208486162463
Energy: 1.1999868313898805
Energy: 1.2417943547728993
Energy: 1.3207798475438794
Energy: 1.1342340834861613
Energy: 1.2305087801591155
Energy: 1.3619485106748157
Energy: 1.2618005556577347
Energy: 1.2501251835527245
Energy: 1.2215770676834048
Energy: 1.192074390028857
Energy: 1.2153362630988145
Energy: 1.2853550932745934
Energy: 1.3853960264304672
Energy: 1.2404523325240155
Energy: 1.2056495269433116
Energy: 1.242361910504258
Energy: 1.217342159861789
Energy: 1.3094621484516566
Energy: 1.2000642764127918
Energy: 1.29231689799731
Energy: 1.280429425469272
Energy: 1.271166171611132
Energy: 1.2867290273227465
Energy: 1.28623522885706
Energy: 1.1991605932943254
Energy: 1.2846110591311533
Energy: 1.2883823488356787
Energy: 1.2547717049835088
Energy: 1.2849871462439908
Energy: 1.284590673060546
Energy: 1.3254216520523305
Energy: 1.2846266924836804
Energy: 1.2857254937934781
Energy: 1.1548777979943763
Energy: 1.1555826670039218
Energy: 1.1991686198170284
Energy: 1.1302498966993508
Energy: 1.3591037141199487
Energy: 1.156134622998985
Energy: 1.1155547237219037
Energy: 1.2852258108409027
Energy: 1.2929992864596285
Energy: 1.20077761442698
Energy: 1.287887673902846
Energy: 1.2851123874699044
Energy: 1.1205956496710308
Energy: 1.2839057611266191
Energy: 1.285526137808911
Energy: 1.2001132055263084
Energy: 1.2845632397872497
Energy: 1.306363833109828
Energy: 1.1550170205501973
Energy: 1.1562359467137189
Energy: 1.2079824301543145
Energy: 1.2254215460738862
Energy: 1.2045887523879513
Energy: 1.1581768226568159
Energy: 1.1940264468849195
Energy: 1.2122028918214074
Energy: 1.2747772214733513
Energy: 1.1164613283322002
Energy: 1.234698179422776
Energy: 1.193055665178851
Energy: 1.1994427540840575
Energy: 1.2119269026646107
Energy: 1.2681912706956466
Energy: 1.3531416195039419
Energy: 1.1955881262715213
Energy: 1.268550568511683
Energy: 1.1981279671082823
Energy: 1.2023131046999156
Energy: 1.209021758849947
Energy: 1.132245512066766
Energy: 1.2137072136219846
Energy: 1.203825304766392
Energy: 1.1284986363279164
Energy: 1.2077637122859524
Energy: 1.2097688670517142
Energy: 1.2001019764893461
Energy: 1.2101118615126039
Energy: 1.2858252273355188
Energy: 1.1301072932488918
Energy: 1.1986320945214075
Energy: 1.2062645808208545
Energy: 1.1942265439801978
Energy: 1.233005665692925
Energy: 1.2973287423841913
Energy: 1.1988779180248155
Energy: 1.2210595845627297
Energy: 1.249892931255759
Energy: 1.2460158624966935
Energy: 1.288424162102558
Energy: 1.2133890214920529
Energy: 1.1981895386874024
Energy: 1.2875984150445863
Energy: 1.2848889480735564
Energy: 1.2846563354570657
Energy: 1.2888492243798217
Energy: 1.3703168638277023
Energy: 1.2000685504638349
Energy: 1.2888363655250832
Energy: 1.3750024314683524
Energy: 1.2555404585473722
Energy: 1.2882955614808058
Energy: 1.3192913173876284
Energy: 1.22452119303339
Energy: 1.285064432590538
Energy: 1.156051939510602
Energy: 1.2443163761080307
Energy: 1.2864199952392905
Energy: 1.3812309211650342
Energy: 1.1981115466255403
Energy: 1.2841169934709937
Energy: 1.3007807127404623
Energy: 1.2999303656127372
Energy: 1.2883521469922434
Energy: 1.2852463564732757
Energy: 1.1313913784035534
Energy: 1.2854079260631828
Energy: 1.2848225935235842
Energy: 1.1185928963900764
Energy: 1.288118273677675
Energy: 1.209348941162235
Energy: 1.1211310791024354
Energy: 1.3227765982891424
Energy: 1.194628761517942
Energy: 1.19304590235584
Energy: 1.2263799299072602
Energy: 1.2033868457705525

minimum gb energy = 1.1155547237219037 eV
minimum distance =  2.18721722512671 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.322295886924198
Energy: 1.2825203681256274
Energy: 1.2052968130926898
Energy: 1.2473871554009177
Energy: 1.278146123547513
Energy: 1.3474217658114425
Energy: 1.444714540053128
Energy: 1.4905092995693705
Energy: 1.2552625291139223
Energy: 1.2283210843436019
Energy: 1.224397904646434
Energy: 1.3197377020255532
Energy: 1.3658888930390387
Energy: 1.303939006429429
Energy: 1.2992814089426532
Energy: 1.2457999360430079
Energy: 1.2993330862486225
Energy: 1.3741583738399394
Energy: 1.3015041387373607
Energy: 1.293714755362985
Energy: 1.2958067693048543
Energy: 1.4473144005948324
Energy: 1.2957495400198145
Energy: 1.3043740492476426
Energy: 1.351867825558637
Energy: 1.2920537481578238
Energy: 1.3378186918068222
Energy: 1.4179847918747408
Energy: 1.5037866123892096
Energy: 1.3420586458072057
Energy: 1.2271651518919764
Energy: 1.3633799509570448
Energy: 1.360568628884759
Energy: 1.2277751525293155
Energy: 1.3615147926507976
Energy: 1.3652568084975278
Energy: 1.2264131460583398
Energy: 1.3632320529339979
Energy: 1.3607213682110937
Energy: 1.4869074724422175
Energy: 1.3618320197210734
Energy: 1.3630850629809077
Energy: 1.2275027236954976
Energy: 1.2335851551990242
Energy: 1.2603156755238514
Energy: 1.2280424886109718
Energy: 1.3596518267297444
Energy: 1.2274407115599941
Energy: 1.3246476591429652
Energy: 1.2977077127301138
Energy: 1.3118241238084347
Energy: 1.3026625674556993
Energy: 1.295407587038397
Energy: 1.4396839176009593
Energy: 1.1675061043940855
Energy: 1.2987257447612266
Energy: 1.3337333074133768
Energy: 1.3598198765731717
Energy: 1.2954490318559844
Energy: 1.3349862851980168
Energy: 1.3187960178572413
Energy: 1.3436134471115915
Energy: 1.3107089220952652
Energy: 1.318376883741554
Energy: 1.3049609447744845
Energy: 1.2392353016804216
Energy: 1.2277380481232747
Energy: 1.219621213945695
Energy: 1.2215028705935207
Energy: 1.1976788189880223
Energy: 1.2177952528943181
Energy: 1.2217566314737307
Energy: 1.201815041872904
Energy: 1.2208054609613108
Energy: 1.2412993158933336
Energy: 1.1981556578526096
Energy: 1.2403601173429597
Energy: 1.222003729526911
Energy: 1.28814518183524
Energy: 1.2872329540702203
Energy: 1.307353953272093
Energy: 1.366660895966123
Energy: 1.3176189663277134
Energy: 1.20076486676729
Energy: 1.225113707656389
Energy: 1.3455705533562063
Energy: 1.3841681358504379
Energy: 1.3289184716753635
Energy: 1.3475718878632093
Energy: 1.3444152384604877
Energy: 1.2479352488862963
Energy: 1.34678739926103
Energy: 1.3568446322944105
Energy: 1.4387592852107027
Energy: 1.3447839440550404
Energy: 1.4184552691679133
Energy: 1.2833502069324163
Energy: 1.1989817327904204
Energy: 1.4851171364359455
Energy: 1.366294607204442
Energy: 1.3844030413939112
Energy: 1.2880460364845214
Energy: 1.1653857390694766
Energy: 1.3444220596564338
Energy: 1.3448825781576565
Energy: 1.4376454583370257
Energy: 1.3479025244648082
Energy: 1.3599702486520382
Energy: 1.1653284100953423
Energy: 1.3449367020171696
Energy: 1.3457727608380052
Energy: 1.3635081575217374
Energy: 1.3456129858681123
Energy: 1.347189535642444
Energy: 1.2021245544537238
Energy: 1.2034586768658202
Energy: 1.323636573311744
Energy: 1.3683203969634148
Energy: 1.5010114135283819
Energy: 1.203013506248977
Energy: 1.2034669142049466
Energy: 1.2480492287591978
Energy: 1.2639902771475873
Energy: 1.4265952182729804
Energy: 1.2504535462405018
Energy: 1.2022091798083923
Energy: 1.2291563326420445
Energy: 1.2466080065901064
Energy: 1.3603413761314909
Energy: 1.2669020153942878
Energy: 1.2248528241906909
Energy: 1.2535074917269786
Energy: 1.4172554764919822
Energy: 1.501290004003698
Energy: 1.3121414828283802
Energy: 1.32024576986831
Energy: 1.3002103937690799
Energy: 1.3502726939589238
Energy: 1.1984910952203975
Energy: 1.2979400046953755
Energy: 1.3773937281508317
Energy: 1.3042911126924173
Energy: 1.299208654269758
Energy: 1.3498074412133203
Energy: 1.4175868271699281
Energy: 1.5009904206049027
Energy: 1.295989526253003
Energy: 1.3402190768693114
Energy: 1.3032544056018907
Energy: 1.3474325636956044
Energy: 1.2268674860674422
Energy: 1.3622711905711395
Energy: 1.3628446764861641
Energy: 1.22716635250536
Energy: 1.3624660707086567
Energy: 1.261832543393275
Energy: 1.2841896672268833
Energy: 1.3600496986813637
Energy: 1.3613979685254132
Energy: 1.4352449794722264
Energy: 1.3642581650270775
Energy: 1.3620615392975048
Energy: 1.2267642373264858
Energy: 1.3686255909764293
Energy: 1.2282623367923435
Energy: 1.226712092003022
Energy: 1.362053575733272
Energy: 1.3912670084894943
Energy: 1.3045348589179682
Energy: 1.3234453203844774
Energy: 1.4227744084474456
Energy: 1.3572877081446384
Energy: 1.3007048422427887
Energy: 1.3913942351824888
Energy: 1.3279683407980245
Energy: 1.3376606115127698
Energy: 1.3324191971149104
Energy: 1.4018081910200613
Energy: 1.2995554871703037
Energy: 1.3898051128232922
Energy: 1.318087372269043
Energy: 1.2997906495692537
Energy: 1.351094393155943
Energy: 1.3202540161039507
Energy: 1.298431210945208
Energy: 1.3459888234739028
Energy: 1.3919389208314312
Energy: 1.2474655801356636
Energy: 1.2516758596781965
Energy: 1.2488610068190564
Energy: 1.2242393801481897
Energy: 1.5516231337572084
Energy: 1.2939314987389152
Energy: 1.2325747197253145
Energy: 1.233252791244053
Energy: 1.2015861644974355
Energy: 1.2208027074250118
Energy: 1.2977017935279458
Energy: 1.3686000577301316
Energy: 1.3059078032710802
Energy: 1.2687906724242828
Energy: 1.2014215677000615
Energy: 1.222072275419487
Energy: 1.3213614259074327
Energy: 1.3289024857301128
Energy: 1.3851230188200898
Energy: 1.343903163790542
Energy: 1.225628728785791
Energy: 1.3469106921950873
Energy: 1.4247779029489882
Energy: 1.3265435662666962
Energy: 1.3461825206810696
Energy: 1.3448624872997212
Energy: 1.245886577124351
Energy: 1.3441361537548118
Energy: 1.3563255314119118
Energy: 1.3194853730074079
Energy: 1.3353743251062595
Energy: 1.1990623859477554
Energy: 1.3812493250762954
Energy: 1.199637217040071
Energy: 1.3424794653066623
Energy: 1.329147428226703
Energy: 1.3458780732265008
Energy: 1.3464988320747853
Energy: 1.1669885971447589
Energy: 1.3450975872158444
Energy: 1.4149402032166152
Energy: 1.3304615990434405
Energy: 1.3441921811097464
Energy: 1.3445020869151099
Energy: 1.298714067289738
Energy: 1.347602107974084
Energy: 1.4458242141272306
Energy: 1.3679028562350675
Energy: 1.3023537150959321
Energy: 1.2031376730640568
Energy: 1.204323348532288
Energy: 1.2025866552903837
Energy: 1.3097188467895933
Energy: 1.163901300389635
Energy: 1.2486923543653237
Energy: 1.2422425171280511
Energy: 1.2026985272559807
Energy: 1.2474075138566447
Energy: 1.3351890419148214

minimum gb energy = 1.163901300389635 eV
minimum distance =  2.199901557011 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.1657007255961083
Energy: 1.3602700468576918
Energy: 1.4220419428605808
Energy: 1.3155872127853379
Energy: 1.3453362803865987
Energy: 1.3593842589909721
Energy: 1.1849247651602102
Energy: 1.381065987752294
Energy: 1.290752392257086
Energy: 1.363722644961941
Energy: 1.2801642379813476
Energy: 1.2765936741041937
Energy: 1.3191628530411101
Energy: 1.2799523920797813
Energy: 1.2735171463892219
Energy: 1.3111892075279201
Energy: 1.2957755067301957
Energy: 1.2819167106024225
Energy: 1.3279463972651115
Energy: 1.2736332087708575
Energy: 1.2725204409674482
Energy: 1.3075370709860679
Energy: 1.2754862340698094
Energy: 1.2794942279461305
Energy: 1.3325885839565252
Energy: 1.2828055379242718
Energy: 1.3041594679688284
Energy: 1.310247081086473
Energy: 1.4183608824707914
Energy: 1.2846014264821595
Energy: 1.3355962667145758
Energy: 1.3703700452379588
Energy: 1.3644706327065628
Energy: 1.3595985237850303
Energy: 1.3704300681808783
Energy: 1.370292820376885
Energy: 1.3956590492727001
Energy: 1.3714234030620758
Energy: 1.3704622656584902
Energy: 1.4472884608218515
Energy: 1.3720728969883642
Energy: 1.3988692019951015
Energy: 1.434966054919629
Energy: 1.433034006830302
Energy: 1.3796341276943729
Energy: 1.3260391549480082
Energy: 1.3706562217539862
Energy: 1.2852632550840395
Energy: 1.1851430617370227
Energy: 1.2774215887036753
Energy: 1.2764433593686764
Energy: 1.3096196439819463
Energy: 1.3049051324295569
Energy: 1.346770388222903
Energy: 1.1582700139923532
Energy: 1.273704166487273
Energy: 1.3733601342846933
Energy: 1.3542855389483905
Energy: 1.2858020427002106
Energy: 1.3470849373595553
Energy: 1.3354965735387616
Energy: 1.309987528936021
Energy: 1.3035334816601016
Energy: 1.333792448112236
Energy: 1.3066146153525489
Energy: 1.2918658567216081
Energy: 1.349037103872735
Energy: 1.2774761510429833
Energy: 1.2770472342193144
Energy: 1.3710838814639437
Energy: 1.2839483197821469
Energy: 1.2790244242375415
Energy: 1.3407904424794204
Energy: 1.2794228107201824
Energy: 1.2868995653070257
Energy: 1.3712665259250738
Energy: 1.2848443641252765
Energy: 1.2789476544197222
Energy: 1.3090784418593566
Energy: 1.2837703545571104
Energy: 1.3088249274566555
Energy: 1.4355673339791026
Energy: 1.3042951343612765
Energy: 1.3883772587627858
Energy: 1.3822290566377544
Energy: 1.3710900454254202
Energy: 1.3759851969813064
Energy: 1.5041961984035697
Energy: 1.370475922500156
Energy: 1.3707990040769233
Energy: 1.3319970289926715
Energy: 1.371439559339784
Energy: 1.3697215345356024
Energy: 1.44775412977337
Energy: 1.373199746836104
Energy: 1.3720339274812199
Energy: 1.320223823822409
Energy: 1.3047513350994109
Energy: 1.3781478976997252
Energy: 1.309423885070059
Energy: 1.3070722352909196
Energy: 1.3095873993548834
Energy: 1.1578723368078032
Energy: 1.2724740371992074
Energy: 1.278054181704852
Energy: 1.3095911539053176
Energy: 1.2724700039760657
Energy: 1.3469008721169988

minimum gb energy = 1.1578723368078032 eV
minimum distance =  2.20623997867517 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.0025732498488447
Energy: 1.3744004216873162
Energy: 1.4296983442451403
Energy: 1.3007543341983683
Energy: 1.395995687552185
Energy: 1.3888132044346133
Energy: 1.2820674760164636
Energy: 1.5437222152250414
Energy: 1.3018990837774496
Energy: 1.3408897636375312
Energy: 1.3624981332234947
Energy: 1.4775447338444658
Energy: 1.4438173302692396
Energy: 1.413202004487239
Energy: 1.4649054258340684
Energy: 1.4144079656371895
Energy: 1.413804389678489
Energy: 1.4915164431200896
Energy: 1.4729428480349263
Energy: 1.4168832092674986
Energy: 1.4142942542921826
Energy: 1.449692555125831
Energy: 1.4135664425496774
Energy: 1.5003469120381352
Energy: 1.4911880039054815
Energy: 1.4306274805304329
Energy: 1.4819818849868533
Energy: 1.3378993428027761
Energy: 1.519071731855518
Energy: 1.530751409496684
Energy: 1.4803330563012005
Energy: 1.458234371729079
Energy: 1.4895532108877674
Energy: 1.2792899875942294
Energy: 1.4648019566196047
Energy: 1.4811822186831174
Energy: 1.5190725023219025
Energy: 1.4393665810416847
Energy: 1.4705687515314514
Energy: 1.4576000570271437
Energy: 1.417039982971122
Energy: 1.5248068096705678
Energy: 1.3649113457993265
Energy: 1.414417108001155
Energy: 1.478164848662658
Energy: 1.337902492842194
Energy: 1.4647065815271754
Energy: 1.4506785677008915
Energy: 1.3340128191418945
Energy: 1.3627381199646837
Energy: 1.2979192999255336
Energy: 1.3373071266904155
Energy: 1.306853774954545
Energy: 1.4769503691411936
Energy: 1.337699593588549
Energy: 1.310541966238924
Energy: 1.3153541546549896
Energy: 1.3004476949667894
Energy: 1.2968980320719206
Energy: 1.4179439094367055
Energy: 1.3658053778067318
Energy: 1.4697375281717193
Energy: 1.3628172767614666
Energy: 1.3422033109047025
Energy: 1.361896194889373
Energy: 1.4409396900141789
Energy: 1.4430021028169764
Energy: 1.5030944269325828
Energy: 1.46491638707182
Energy: 1.4841818109283396
Energy: 1.4594489975429255
Energy: 1.4754314906994737
Energy: 1.560460959974783
Energy: 1.4652712696389052
Energy: 1.493078281011043
Energy: 1.4808258961572003
Energy: 1.4732563086865367
Energy: 1.5278977279408557
Energy: 1.3643949692915094
Energy: 1.4703607663805893
Energy: 1.469775281245218
Energy: 1.3655080157664516
Energy: 1.469558177972233
Energy: 1.483506541420211
Energy: 1.2988590198847534
Energy: 1.319302459481829
Energy: 1.4339397833911023
Energy: 1.4446656858299298
Energy: 1.3660927857694918
Energy: 1.3500735592983806
Energy: 1.3403262347137663
Energy: 1.2980737021032438
Energy: 1.36022409470729
Energy: 1.3289106644855277
Energy: 1.2955964755097529
Energy: 1.3440957678043375
Energy: 1.2788353755864752
Energy: 1.3630586776438391
Energy: 1.4690167654616377
Energy: 1.3654366289426314
Energy: 1.4693365232695565
Energy: 1.299625491654768
Energy: 1.4846726026867765
Energy: 1.4191152158741107
Energy: 1.491094062334966
Energy: 1.5074012309668636
Energy: 1.4159287704940435
Energy: 1.4132159416196548
Energy: 1.4490777885839234
Energy: 1.4135291071506582
Energy: 1.4127866120565487
Energy: 1.469674806258528
Energy: 1.4151594613034517
Energy: 1.465099521590133
Energy: 1.337131227134822
Energy: 1.471083137328391
Energy: 1.4329550517658922
Energy: 1.4718012946523462
Energy: 1.4706468575955416
Energy: 1.3774324547820531
Energy: 1.3309152816468914
Energy: 1.413597136971331
Energy: 1.4494366035778976
Energy: 1.4699957656598097
Energy: 1.4130772098507383
Energy: 1.4892952837814764
Energy: 1.2145265168183998
Energy: 1.4134934189739479
Energy: 1.4385612038848454
Energy: 1.5299730733906216
Energy: 1.442740912654543
Energy: 1.457252226462263
Energy: 1.3441686312995593
Energy: 1.4220912276958755
Energy: 1.5089573391723772
Energy: 1.3644405909018287
Energy: 1.4653009632937546
Energy: 1.3674343453709452
Energy: 1.3406548303687502
Energy: 1.2971733394926834
Energy: 1.4170095737108777
Energy: 1.408732545857472
Energy: 1.3046114981731265
Energy: 1.340512385172216
Energy: 1.299342559503977
Energy: 1.2957701875579306
Energy: 1.3116156350843755
Energy: 1.3323320473254165
Energy: 1.3022079728783322
Energy: 1.2999706158302833
Energy: 1.301713759588439
Energy: 1.489424801952948
Energy: 1.5048923310097564
Energy: 1.3639343307408396
Energy: 1.4653802395422448
Energy: 1.3685969477945925
Energy: 1.477409305361467
Energy: 1.461022026067198
Energy: 1.4888480526184906
Energy: 1.4807924903010024
Energy: 1.4886251544938243
Energy: 1.4651327168594523
Energy: 1.4412490107913576
Energy: 1.4591236672104055
Energy: 1.470365948424985
Energy: 1.5617101242994533
Energy: 1.4530133347565999
Energy: 1.4910333859889122
Energy: 1.3642040349727735
Energy: 1.469120133951778
Energy: 1.4048085600699214
Energy: 1.302021589196978
Energy: 1.4810982400143962
Energy: 1.4127456671528196
Energy: 1.2117722886009288
Energy: 1.308900412013027
Energy: 1.3082233086469437
Energy: 1.2994814424459082
Energy: 1.2980186754359344
Energy: 1.3589213811232557

minimum gb energy = 1.2117722886009288 eV
minimum distance =  2.18615227723829 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.6379277646533033
Energy: 1.357593014352586
Energy: 1.4930966501299638
Energy: 1.224954642976469
Energy: 1.432323185644517
Energy: 1.5458565191649993
Energy: 1.1672308690185018
Energy: 1.451254316715369
Energy: 1.3643181856542754
Energy: 1.188945405944753
Energy: 1.3114889940349397
Energy: 1.4623277949950297
Energy: 1.1903370837651126
Energy: 1.3336282752017574
Energy: 1.356607012025481
Energy: 1.1844933850883677
Energy: 1.3158700013212756
Energy: 1.364367305756691
Energy: 1.3194316567623905
Energy: 1.3124485732253865
Energy: 1.3161817941771654
Energy: 1.3708068730110052
Energy: 1.3149243161888515
Energy: 1.3093525771007704
Energy: 1.1874845650725057
Energy: 1.305666471054563
Energy: 1.4826579204884254
Energy: 1.1871139666645667
Energy: 1.3737152502708698
Energy: 1.306827752266126
Energy: 1.2236754018865839
Energy: 1.3139033130072566
Energy: 1.450747866476216
Energy: 1.1892956639151593
Energy: 1.3787297072335933
Energy: 1.3738402122193492
Energy: 1.226891447775839
Energy: 1.3088923689640295
Energy: 1.3578290027496538
Energy: 1.6357144342610026
Energy: 1.3103592796230241
Energy: 1.4910545759762963
Energy: 1.187887293242212
Energy: 1.36454826663447
Energy: 1.4534785024944161
Energy: 1.1889115207493286
Energy: 1.3806420797249817
Energy: 1.3654181996139276
Energy: 1.1881360417630202
Energy: 1.3147218565645258
Energy: 1.3316812812742558
Energy: 1.1891822260859444
Energy: 1.3169197321564994
Energy: 1.3795828933623515
Energy: 1.335679499190625
Energy: 1.3145513642462052
Energy: 1.3109320723423938
Energy: 1.37123412018959
Energy: 1.314634329139985
Energy: 1.312837410786247
Energy: 1.1879305751281826
Energy: 1.3793524791025602
Energy: 1.3048233935397329
Energy: 1.1876600325655216
Energy: 1.4492417356917229
Energy: 1.5419473537147488
Energy: 1.189202726518764
Energy: 1.3832596262381651
Energy: 1.307982486407419
Energy: 1.2199800753629926
Energy: 1.3101375139670601
Energy: 1.4507308064645246

minimum gb energy = 1.1672308690185018 eV
minimum distance =  2.23307143674842 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.3518170027719478
Energy: 1.3801581859079917
Energy: 1.2582830092393762
Energy: 1.3831496905649932
Energy: 1.2980640768799157
Energy: 1.4436496808956494
Energy: 1.3699555658183373
Energy: 1.5045372119416411
Energy: 1.2968948942041194
Energy: 1.2976474498228419
Energy: 1.296456130358197
Energy: 1.3712720785556414
Energy: 1.4207752796429596
Energy: 1.486237876998011
Energy: 1.483536754348297
Energy: 1.2982167128716027
Energy: 1.4931829444184674
Energy: 1.5440468480533842
Energy: 1.2210563058827808
Energy: 1.4855644181746623
Energy: 1.4849838049220758
Energy: 1.3003204498717296
Energy: 1.4804926729907604
Energy: 1.484195293984433
Energy: 1.346280028195364
Energy: 1.4840502725584723
Energy: 1.4840396531305138
Energy: 1.4180777582731898
Energy: 1.4842672936308485
Energy: 1.510130915155242
Energy: 1.3414253504726865
Energy: 1.2964721131667298
Energy: 1.5333728153195636
Energy: 1.3735936619829097
Energy: 1.3003161569744264
Energy: 1.2975866900926933
Energy: 1.2743970707949797
Energy: 1.2991796652370926
Energy: 1.3971228649356464
Energy: 1.4489441532907734
Energy: 1.2964016922801507
Energy: 1.2716502967847458
Energy: 1.2540009224223216
Energy: 1.296543002300654
Energy: 1.5345963422266422
Energy: 1.3738484139762368
Energy: 1.2983082020887935
Energy: 1.2587938377015333
Energy: 1.2734080297138428
Energy: 1.4634079675593386
Energy: 1.5206348495222601
Energy: 1.3711885258543601
Energy: 1.4514708194173602
Energy: 1.4956453044941613
Energy: 1.2743746803250284
Energy: 1.4642913800140793
Energy: 1.449373291847146
Energy: 1.3593649227439923
Energy: 1.4527999347160094
Energy: 1.4721512827226748
Energy: 1.3742706170494325
Energy: 1.4857667962875707
Energy: 1.44953500204439
Energy: 1.360988759295304
Energy: 1.4501200606571538
Energy: 1.4764684303693882
Energy: 1.374977368650875
Energy: 1.5433569428607186
Energy: 1.399542742558527
Energy: 1.3712353032271436
Energy: 1.399205477821265
Energy: 1.3730855619548137
Energy: 1.3393160132554884
Energy: 1.3985592522860237
Energy: 1.3900513799753436
Energy: 1.3257926337395851
Energy: 1.400967358594696
Energy: 1.4887730862753903
Energy: 1.3767215972348397
Energy: 1.3965977546320043
Energy: 1.3721025188641474
Energy: 1.3543356675229468
Energy: 1.3989542565957334
Energy: 1.4643614079431067
Energy: 1.3787674062245765
Energy: 1.5732781701750147
Energy: 1.3840991456165672
Energy: 1.3267166727506725
Energy: 1.3999619272556918
Energy: 1.4948599129751206
Energy: 1.4586170644100103
Energy: 1.3955773064749868
Energy: 1.407265890728374
Energy: 1.3550681255844594
Energy: 1.3983993783020363
Energy: 1.4258447625899282
Energy: 1.3762363292045519
Energy: 1.3990317261756937
Energy: 1.39828483594411
Energy: 1.369099685842982
Energy: 1.3977065730385914
Energy: 1.4243692034493058
Energy: 1.3737255144672342
Energy: 1.4538777698073508
Energy: 1.5188141867878522
Energy: 1.3710643568542078
Energy: 1.4493231962698212
Energy: 1.2989360953879137
Energy: 1.2719146711794818
Energy: 1.473061868995687
Energy: 1.4907814455938169
Energy: 1.3953381671516762
Energy: 1.4605779117629911
Energy: 1.5023011154631971
Energy: 1.275760729256675
Energy: 1.4580264110621666
Energy: 1.5202438425664009
Energy: 1.3707808565092385
Energy: 1.4491912541535088
Energy: 1.4862800204665874
Energy: 1.2715686863024485
Energy: 1.264013686063633
Energy: 1.5401099343504898
Energy: 1.3689474387573883
Energy: 1.5187285761073592
Energy: 1.2583235775505477
Energy: 1.2568782585599974
Energy: 1.2963977051427904
Energy: 1.3655261030212307
Energy: 1.368659884302962
Energy: 1.296544638806538
Energy: 1.2582011524188255
Energy: 1.3418659270800952
Energy: 1.2955537044330983
Energy: 1.4499213874475898
Energy: 1.3679661217662133
Energy: 1.2948708475154138
Energy: 1.2946453035638903
Energy: 1.3433271180085704
Energy: 1.4888161091188323
Energy: 1.5203913283837114
Energy: 1.3693042925403944
Energy: 1.5007341187065224
Energy: 1.2967675971501482
Energy: 1.3431353362473122
Energy: 1.5050763500597957
Energy: 1.4875359877395384
Energy: 1.3020484815287037
Energy: 1.4845780550606467
Energy: 1.5364803522597832
Energy: 1.343874964986679
Energy: 1.483961259070951
Energy: 1.485297839230272
Energy: 1.2230454370615684
Energy: 1.4844195858870806
Energy: 1.4839050069644109
Energy: 1.4210238485949347
Energy: 1.475578270382478
Energy: 1.2956435417207142
Energy: 1.296628869567169
Energy: 1.297480087143138
Energy: 1.3713196865274098
Energy: 1.4128326724606526
Energy: 1.2956922843243674
Energy: 1.2964047377995436
Energy: 1.334631272017604
Energy: 1.298319371621134
Energy: 1.397628019324698
Energy: 1.3713600786979439
Energy: 1.2980138415140825
Energy: 1.2949205928805598
Energy: 1.2575209100237288
Energy: 1.2962815092011306
Energy: 1.3966431274863502
Energy: 1.4192613334146378
Energy: 1.5230637517301753
Energy: 1.363143273918255
Energy: 1.272102906254032
Energy: 1.4929277012713154
Energy: 1.6129414602248218
Energy: 1.4632822706466053
Energy: 1.449795373964661
Energy: 1.4715361776394862
Energy: 1.2718407436223946
Energy: 1.449560701121248
Energy: 1.4507264142898986
Energy: 1.460438751919721
Energy: 1.4585785006651761
Energy: 1.508168514873237
Energy: 1.2768411974373115
Energy: 1.46416338583886
Energy: 1.4720768396446264
Energy: 1.425474331699857
Energy: 1.3967534777997712
Energy: 1.412023828513406
Energy: 1.3714507815577495
Energy: 1.4558047329596113
Energy: 1.3688465128599865
Energy: 1.3758198039336054
Energy: 1.3987199621484012
Energy: 1.3967009150661758
Energy: 1.3718666871436307
Energy: 1.3995779545541345
Energy: 1.4654743336976104
Energy: 1.3577898221956797
Energy: 1.3971578351775875
Energy: 1.3961234093823163
Energy: 1.3675611300867305
Energy: 1.396055517812666
Energy: 1.3762290250441669
Energy: 1.322618655963652
Energy: 1.4706057440558105
Energy: 1.5729046378990628
Energy: 1.3711639513913705
Energy: 1.5640196289635973
Energy: 1.396973144385253
Energy: 1.359139226650194
Energy: 1.3959337615056926
Energy: 1.3974844118332928
Energy: 1.3703499742953376
Energy: 1.398398308366689
Energy: 1.4062060549392208
Energy: 1.3371143460483257
Energy: 1.4226944316651968
Energy: 1.4245422028942556
Energy: 1.359252974049194
Energy: 1.397548113164639
Energy: 1.4825200074752367
Energy: 1.4197147490862692
Energy: 1.396094462323508
Energy: 1.44008515338845
Energy: 1.3729168827236415
Energy: 1.449701121920827
Energy: 1.3715234164120842
Energy: 1.3403975231934289
Energy: 1.4556832170438634
Energy: 1.513109075546441
Energy: 1.2995958274716422
Energy: 1.4650922739372694
Energy: 1.4494509673821903
Energy: 1.424281211413383
Energy: 1.4506048588980622
Energy: 1.4865891994013398
Energy: 1.3600986817710299
Energy: 1.448569490501835
Energy: 1.44938315866647
Energy: 1.4181574437353839
Energy: 1.5218746556038316
Energy: 1.4939068996284635
Energy: 1.2740403501330682
Energy: 1.484328385943526
Energy: 1.5451114702440922
Energy: 1.3782805575939834
Energy: 1.2951767087427986
Energy: 1.2950347653435705
Energy: 1.2564178106565531
Energy: 1.2954548057345823
Energy: 1.5914483612544341

minimum gb energy = 1.2210563058827808 eV
minimum distance =  2.21081773786418 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.6006595625123348
Energy: 1.4226518386516804
Energy: 1.201108339314248
Energy: 1.205844631555741
Energy: 1.4679262936920923
Energy: 1.3793910740985174
Energy: 1.697268616933895
Energy: 1.4678640681620294
Energy: 1.1740547695788126
Energy: 1.1739155366792633
Energy: 1.3294493306018773
Energy: 1.428236090157471
Energy: 1.4851914020166566
Energy: 1.3623085541691276
Energy: 1.44900004611641
Energy: 1.1760905180103682
Energy: 1.4500235165433573
Energy: 1.351483790217327
Energy: 1.2745153648960459
Energy: 1.4543053153232404
Energy: 1.4493301283115838
Energy: 1.3791534278230884
Energy: 1.45053819293336
Energy: 1.3500977975597022
Energy: 1.277209963764919
Energy: 1.3728559203310675
Energy: 1.475758059418513
Energy: 1.2319145768304491
Energy: 1.477270858199116
Energy: 1.3526802581172317
Energy: 1.4843476970913925
Energy: 1.3047451314556322
Energy: 1.4152438462817443
Energy: 1.1175343650294214
Energy: 1.3069621674916743
Energy: 1.3051331902683727
Energy: 1.372773300122807
Energy: 1.3054375171887689
Energy: 1.303941836163604
Energy: 1.4693560493656486
Energy: 1.305664809606653
Energy: 1.305344636557116
Energy: 1.4169910242750445
Energy: 1.3028195559101823
Energy: 1.4603777224906724
Energy: 1.1195097001973124
Energy: 1.3033628853952002
Energy: 1.312326484917516
Energy: 1.36715480229018
Energy: 1.2749066748588926
Energy: 1.4655852222110737
Energy: 1.116825929917543
Energy: 1.459317160458003
Energy: 1.2835979809165496
Energy: 1.3318405027442568
Energy: 1.3940689211537876
Energy: 1.3941504358817238
Energy: 1.3939483649198834
Energy: 1.394336936241294
Energy: 1.2744531393324032
Energy: 1.331364535630551
Energy: 1.2733391024961285
Energy: 1.394380255232644
Energy: 1.119785578581809
Energy: 1.3939201142208892
Energy: 1.267732336312857
Energy: 1.6678738748293602
Energy: 1.4418568504843912
Energy: 1.3434646374498551
Energy: 1.116592922242073
Energy: 1.4565626994947314
Energy: 1.4487106628796478
Energy: 1.6161718976873507
Energy: 1.4358708844033277
Energy: 1.3588560321851095
Energy: 1.1163007873185744
Energy: 1.4610318078923872
Energy: 1.4593823816469458
Energy: 1.6687707955627036
Energy: 1.4386775478877352
Energy: 1.3597970709529479
Energy: 1.2708770713344397
Energy: 1.436321766286099
Energy: 1.441676125181159
Energy: 1.4850025923082577
Energy: 1.4363220400901893
Energy: 1.1176871749474262
Energy: 1.229215578721965
Energy: 1.3738237903983104
Energy: 1.313718358702651
Energy: 1.5557695318278133
Energy: 1.3206425379107414
Energy: 1.3379267804444201
Energy: 1.2310060732831705
Energy: 1.34026304021247
Energy: 1.4773550843949108
Energy: 1.554233541926205
Energy: 1.3205494278429633
Energy: 1.3015900487421703
Energy: 1.2008139115791931
Energy: 1.3009340522015118
Energy: 1.3208914413538453
Energy: 1.769912188905467
Energy: 1.461732007790582
Energy: 1.200788594441334
Energy: 1.199732089567975
Energy: 1.302853256175769
Energy: 1.4271262660336235
Energy: 1.693579767179019
Energy: 1.3294240288858454
Energy: 1.3288317345346548
Energy: 1.2008658608715184
Energy: 1.328454127165292
Energy: 1.4587906242104072

minimum gb energy = 1.1163007873185744 eV
minimum distance =  2.18247228082714 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.8060613324744685
Energy: 1.2963461032124324
Energy: 1.0745277983217
Energy: 1.1828135768700796
Energy: 1.1872848071368456
Energy: 1.2969531052842598
Energy: 1.9955562242767344
Energy: 1.322903144699394
Energy: 1.2366237151070376
Energy: 1.2343268067720015
Energy: 1.1840701554835558
Energy: 1.353320829555762
Energy: 1.4583889334890423
Energy: 1.3202727898810227
Energy: 1.3239193074672395
Energy: 1.2378004093376347
Energy: 1.3204317632595932
Energy: 1.3503822930100715
Energy: 1.5300059737613192
Energy: 1.320504770220065
Energy: 1.3231928792398775
Energy: 1.237939312588588
Energy: 1.3200171256406832
Energy: 1.3445479883347062
Energy: 1.520571929692281
Energy: 1.320474341437116
Energy: 1.3211388994579971
Energy: 1.3461052803202325
Energy: 1.3197027590469625
Energy: 1.3450936501594826
Energy: 1.461204329324971
Energy: 1.3239405805960582
Energy: 1.3207690836417705
Energy: 1.3468761165512506
Energy: 1.321325561681257
Energy: 1.385460265895541
Energy: 1.258959072757573
Energy: 1.2348054548562855
Energy: 1.3223313742584724
Energy: 1.2378084472397692
Energy: 1.3219677849053666
Energy: 1.233126686686114
Energy: 1.062757787743526
Energy: 1.321898582701075
Energy: 1.3211861565853573
Energy: 1.3216128678708392
Energy: 1.3258858216159515
Energy: 1.2370375553725041
Energy: 1.2732962185656511
Energy: 1.184467256861027
Energy: 1.3525192913935904
Energy: 1.3929086418703678
Energy: 1.3217347942630149
Energy: 1.1888017594064157
Energy: 1.2550101154247055
Energy: 1.1812763395991557
Energy: 1.1822563745477845
Energy: 1.3221457738092057
Energy: 1.1830402035115952
Energy: 1.1843066553008086
Energy: 1.0742261655249459
Energy: 1.1789588267391802
Energy: 1.179189106309806
Energy: 1.3328125005442897
Energy: 1.179514369292964
Energy: 1.1792592263585133
Energy: 1.068880595434531
Energy: 1.181724778945765
Energy: 1.3505298181091703
Energy: 1.3505838946612385
Energy: 1.2921530344769652
Energy: 1.0751249962442972
Energy: 1.0762640457971009
Energy: 1.1772730166706142
Energy: 1.3259545643240178
Energy: 1.3864473281062224
Energy: 1.1822620318040202
Energy: 1.0735802016633187
Energy: 1.0659720446580094
Energy: 1.2354060379548042
Energy: 1.2839134046935325
Energy: 1.3451081695835638
Energy: 1.1843350305577918
Energy: 1.2348224738294007
Energy: 1.2583009934753453
Energy: 1.1807167301122612
Energy: 1.3501872083479225
Energy: 1.3288109120058234
Energy: 1.3219314478623905
Energy: 1.2397067644704574
Energy: 1.2607883130891802
Energy: 1.3203429376308593
Energy: 1.325642580865695
Energy: 1.3858383352183232
Energy: 1.3217835968637324
Energy: 1.321142524926826
Energy: 1.2753862576328416
Energy: 1.3242631734444816
Energy: 1.3452934723519188
Energy: 1.3451824851155973
Energy: 1.320389617604151
Energy: 1.2343076486554616
Energy: 1.4509160758764181
Energy: 1.32153129740291
Energy: 1.3712073333351447
Energy: 1.403831462171669
Energy: 1.3207155823264138
Energy: 1.3220571366067597
Energy: 1.732353253525504
Energy: 1.321488879669187
Energy: 1.3848925792857507
Energy: 1.346770743697326
Energy: 1.3211521953209964
Energy: 1.3673893341059544
Energy: 1.2629814393411127
Energy: 1.3208116591141612
Energy: 1.2348390330046506
Energy: 1.1815262601205394
Energy: 1.322733187770992
Energy: 1.3208795003180973
Energy: 1.7223073919051337
Energy: 1.320284027858176
Energy: 1.2370921041813805
Energy: 1.0658260414548595
Energy: 1.3198271778447033
Energy: 1.3178192428897761
Energy: 1.4602576941563365
Energy: 1.3226007060226177
Energy: 1.1827691715161912
Energy: 1.2429130459392206
Energy: 1.1828813448275188
Energy: 1.3505188893950795
Energy: 1.7590403479531123
Energy: 1.1819725365213065
Energy: 1.1826053398971759
Energy: 1.0671080085647686
Energy: 1.1827474781679626
Energy: 1.3200314145917895
Energy: 1.7567650693055537
Energy: 1.1785607981019812
Energy: 1.179495499602638
Energy: 1.076690428413843
Energy: 1.1773168720658873
Energy: 1.3255760588071785
Energy: 1.4508654095515834
Energy: 1.2938938906972646
Energy: 1.073291937891386
Energy: 1.0703829043631
Energy: 1.1841769349471538
Energy: 1.3496621025741073
Energy: 1.994742845787699
Energy: 1.181293700876115
Energy: 1.0715034062209983
Energy: 1.074149426083555
Energy: 1.180986941312114
Energy: 1.2835061297738206

minimum gb energy = 1.062757787743526 eV
minimum distance =  2.17227554533904 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.8746938518010918
Energy: 1.183849907704723
Energy: 0.9968189853721389
Energy: 0.9959369293732904
Energy: 1.08563992342129
Energy: 1.2441887364027466
Energy: 1.7304603263183749
Energy: 1.2051523394068204
Energy: 1.1257966362673584
Energy: 1.1228739161521846
Energy: 1.0893428869258028
Energy: 1.2351472605212472
Energy: 1.7171864669087025
Energy: 1.24876543916761
Energy: 1.204334260354464
Energy: 1.1521651129952906
Energy: 1.2040637916108377
Energy: 1.2827675899530493
Energy: 1.7497973616307139
Energy: 1.2035480608997853
Energy: 1.2045164385656584
Energy: 1.153381399583453
Energy: 1.2034737570408909
Energy: 1.2311576298497722
Energy: 1.728812157245673
Energy: 1.2031408737420553
Energy: 1.2040242496169533
Energy: 1.2475777418817233
Energy: 1.2032585865074505
Energy: 1.2294165232948382
Energy: 1.7135964420178513
Energy: 1.2388239973329296
Energy: 1.2594403591146452
Energy: 1.2765247164992264
Energy: 1.238801472127035
Energy: 1.2393207308038652
Energy: 1.4967358959417587
Energy: 1.239195290029795
Energy: 1.2386774859124852
Energy: 1.2391351933186336
Energy: 1.2384144512193287
Energy: 1.2389141458808792
Energy: 1.2760662456518643
Energy: 1.239206744949762
Energy: 1.238885911352295
Energy: 1.2043760523324334
Energy: 1.2516535349825137
Energy: 1.229310695839254
Energy: 1.4950374635303165
Energy: 1.2593698068686405
Energy: 1.2398326627078244
Energy: 1.2392908316369242
Energy: 1.2390650643819836
Energy: 1.2037540400852196
Energy: 1.494525041894699
Energy: 1.2459509385716308
Energy: 1.2034610810077853
Energy: 1.2377269626012604
Energy: 1.204457108999144
Energy: 1.2472842538576585
Energy: 1.140489571723242
Energy: 1.2041227582584795
Energy: 1.2039101091003241
Energy: 1.2774452407126515
Energy: 1.2036226765921092
Energy: 1.1361007534014467
Energy: 1.1448170842701089
Energy: 1.135622157914159
Energy: 1.234627724588005
Energy: 1.2386258298875568
Energy: 1.2040291592859502
Energy: 1.1349679710112532
Energy: 1.1325600505814537
Energy: 1.0832964405978558
Energy: 1.204323912912266
Energy: 1.2376220602736678
Energy: 1.0884667038501508
Energy: 1.082804813803472
Energy: 0.9932067468249157
Energy: 1.0855022497510798
Energy: 1.2027912890623116
Energy: 1.2048069744129677
Energy: 1.0844013573863973
Energy: 0.9944074573913864
Energy: 0.9944925202407252
Energy: 1.0831359287072677
Energy: 1.235020339066328
Energy: 1.2351295576909778
Energy: 1.1905594645670354
Energy: 1.0827054693174762
Energy: 0.9975313639278894
Energy: 1.084419679831392
Energy: 1.2130763905058162
Energy: 1.234414309657875
Energy: 1.190400950011679
Energy: 0.9951958143095414
Energy: 0.9933553738469934
Energy: 0.9961739431652207
Energy: 1.1662011386457423
Energy: 1.2307080896695173
Energy: 1.0846528139019802
Energy: 0.9952742584461467
Energy: 1.1316845855585005
Energy: 1.1186375315225834
Energy: 1.212278496307339
Energy: 1.229856791273275
Energy: 1.0873258086119357
Energy: 1.1179189744337248
Energy: 1.1408728950626703
Energy: 1.204230172052685
Energy: 1.2345345163097667
Energy: 1.2386574240972543
Energy: 1.2043296940811703
Energy: 1.1495086351242354
Energy: 1.1437233738774246
Energy: 1.2041660164972234
Energy: 1.2035618805014086
Energy: 1.2302923507475658
Energy: 1.2042644013671542
Energy: 1.2044538709745953
Energy: 1.4912793019589003
Energy: 1.2057709391803395
Energy: 1.2303135661682503
Energy: 1.2301915809714805
Energy: 1.203430797004881
Energy: 1.2038317841247392
Energy: 1.505604863594302
Energy: 1.204571509972035
Energy: 1.2407350026757802
Energy: 1.2340148735478882
Energy: 1.2389230060954841
Energy: 1.2042480890361704
Energy: 1.5079409971078062
Energy: 1.2384923990859709
Energy: 1.2511289292451075
Energy: 1.2041765760418164
Energy: 1.2509314646523926
Energy: 1.238385384994159
Energy: 1.5117517522441366
Energy: 1.2388563753873558
Energy: 1.238463987476772
Energy: 1.2835503612596728
Energy: 1.2389812119750345
Energy: 1.2388546662025213
Energy: 1.7174331352254464
Energy: 1.238798737422098
Energy: 1.2391868954362053
Energy: 1.2463670341704245
Energy: 1.2388526282421544
Energy: 1.2388494833274575
Energy: 1.4954773654200761
Energy: 1.2043981840064042
Energy: 1.2459962499006227
Energy: 1.2463632198691161
Energy: 1.2035674670454388
Energy: 1.2037933371855065
Energy: 1.48571304868228
Energy: 1.2045563957211498
Energy: 1.1361500889019704
Energy: 1.149277625887515
Energy: 1.2038670012821433
Energy: 1.2037653591654744
Energy: 1.7196330087362528
Energy: 1.2129282887237467
Energy: 1.1360607666558256
Energy: 1.1600236885746864
Energy: 1.2033531288765051
Energy: 1.2383713388889293
Energy: 1.7226354993809185
Energy: 1.2059829100258412
Energy: 1.088114747922639
Energy: 1.1250836605269894
Energy: 1.0889769781380219
Energy: 1.235850051551014
Energy: 1.698959729043796
Energy: 1.0851466828131473
Energy: 1.0870577117852043
Energy: 0.9916657708900564
Energy: 1.0849712023782105
Energy: 1.2030488187962136
Energy: 1.7226698536129958
Energy: 1.089018001912565
Energy: 1.0858186856437853
Energy: 0.9954148562335539
Energy: 1.0881376478521505
Energy: 1.235056968021696
Energy: 1.7189558517962216
Energy: 1.1923921613881228
Energy: 0.9945164074393288
Energy: 0.9945394489104202
Energy: 1.174188030641664
Energy: 1.234421847696704
Energy: 1.7146250562328276
Energy: 1.0840510111495338
Energy: 0.9951794826777299
Energy: 0.9949833914309394
Energy: 1.0841539072398487
Energy: 1.1665882918234751

minimum gb energy = 0.9916657708900564 eV
minimum distance =  2.16711163586941 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.9406072588031402
Energy: 1.0272822814749767
Energy: 0.8894629653900249
Energy: 1.0259910753653372
Energy: 0.891139169047293
Energy: 1.0760172440521525
Energy: 2.020497827590243
Energy: 1.0690844565811388
Energy: 0.9596806996054259
Energy: 0.977244319505236
Energy: 0.9600719070464796
Energy: 1.0698763955995998
Energy: 2.030751477379134
Energy: 1.0681423380116297
Energy: 1.0583469211338585
Energy: 0.9961546368978044
Energy: 1.043183092108317
Energy: 1.0839016029192625
Energy: 1.7140677890993128
Energy: 1.0434017860473919
Energy: 0.9852408557601687
Energy: 0.9923806805732331
Energy: 1.0429219858508327
Energy: 1.0669112918466992
Energy: 1.7068677167335942
Energy: 1.0414013478981052
Energy: 1.0658664195001688
Energy: 1.065818776309659
Energy: 1.0434006531367979
Energy: 1.0692229684260801
Energy: 2.0209114142106928
Energy: 1.0826284926521117
Energy: 1.08419397136403
Energy: 1.06708805095008
Energy: 1.0866687782285114
Energy: 1.084095745951168
Energy: 1.8434880932259656
Energy: 1.1123012870797382
Energy: 1.0840065420340133
Energy: 1.098753228285341
Energy: 1.082928417272683
Energy: 1.1098208688276816
Energy: 1.3818880069958164
Energy: 1.0824402105401323
Energy: 1.093036928513206
Energy: 1.068185941306734
Energy: 1.0819467690539484
Energy: 1.0934802276810802
Energy: 1.861251206117964
Energy: 1.0974532021843504
Energy: 1.0825524613881359
Energy: 1.0830079297545985
Energy: 1.1136928222681668
Energy: 1.0994633174707202
Energy: 1.6838409184303615
Energy: 1.096579006195058
Energy: 1.0952334451277546
Energy: 1.096737884432317
Energy: 1.0961535780539577
Energy: 1.0950359091549489
Energy: 1.4529900089076495
Energy: 1.097118028301977
Energy: 1.0982350150364135
Energy: 1.1110023120802495
Energy: 1.096920143104401
Energy: 1.0952120202579039
Energy: 1.4306536568774322
Energy: 1.0965300334161163
Energy: 1.0962862130324542
Energy: 1.0961786305083072
Energy: 1.0969318613351735
Energy: 1.094509298046092
Energy: 1.5305992358071538
Energy: 1.083820812288052
Energy: 1.1123593937640728
Energy: 1.0966840342518487
Energy: 1.0820827406509181
Energy: 1.0831975492625647
Energy: 1.2837115968325488
Energy: 1.0849729534031585
Energy: 1.0831529539453355
Energy: 1.0956883880957962
Energy: 1.082485410124998
Energy: 1.1020237718707395
Energy: 1.1043285770572375
Energy: 1.0834264671956513
Energy: 1.116437577631473
Energy: 1.0980111529675196
Energy: 1.1099783219975212
Energy: 1.1020278472121443
Energy: 1.2452803400395922
Energy: 1.089645692416557
Energy: 1.084468015108353
Energy: 1.0955883459087474
Energy: 1.0838365316389174
Energy: 1.0674214104289468
Energy: 1.224421406328149
Energy: 1.0650959959730208
Energy: 1.0823100137640858
Energy: 1.0812757010663403
Energy: 1.0431371606272781
Energy: 1.0671783470362306
Energy: 1.0233209727820554
Energy: 1.042959343897403
Energy: 1.042939825568615
Energy: 1.0971212809995916
Energy: 1.042996048189075
Energy: 0.9856112826557372
Energy: 1.0330141645181752
Energy: 0.9853831008136955
Energy: 1.0678186037216697
Energy: 1.0824385479938297
Energy: 1.0428643803078652
Energy: 0.9944317550543809
Energy: 0.9830370751506057
Energy: 0.97273684262425
Energy: 0.9717462149268733
Energy: 1.0851978415265469
Energy: 0.952764440923123
Energy: 0.9727839036756527
Energy: 0.8865775870024192
Energy: 0.9524998256387739
Energy: 1.0453369092082196
Energy: 1.0831593501965413
Energy: 0.9523935460261947
Energy: 0.8905536665221389
Energy: 0.8914526253376154
Energy: 0.9533869203287839
Energy: 1.0688271284358484
Energy: 1.067922231782395
Energy: 1.01906810043267
Energy: 0.8920686167027909
Energy: 0.8916735648839951
Energy: 0.9525880940825014
Energy: 1.069099951672058
Energy: 1.0842472485405446
Energy: 1.0346920463572724
Energy: 0.8913531618400473
Energy: 0.8872719709220841
Energy: 0.8957792532245511
Energy: 1.0665037888715232
Energy: 1.0658929920843578
Energy: 0.9568191931655409
Energy: 0.893298431287701
Energy: 0.9849090248410631
Energy: 0.9548301798717809
Energy: 1.0685385990756804
Energy: 1.0966174704747584
Energy: 0.9703565976565655
Energy: 0.9735915281619102
Energy: 0.9913788840877719
Energy: 1.0419078307578187
Energy: 1.0686901139747642
Energy: 1.0828015580894093
Energy: 1.043670668208451
Energy: 0.9963756455265116
Energy: 0.9973251600092642
Energy: 1.0426055217740364
Energy: 1.041122214101588
Energy: 1.111896216274028
Energy: 1.0427084940445772
Energy: 0.9869704183869948
Energy: 1.22446955468802
Energy: 1.0426885579657694
Energy: 1.0670372582074406
Energy: 1.0945099707088384
Energy: 1.0432452831191452
Energy: 1.0650690621569399
Energy: 1.2757471273920025
Energy: 1.0821462104472734
Energy: 1.0842801845466516
Energy: 1.0944986757272468
Energy: 1.0828179884755236
Energy: 1.1171155650246198
Energy: 1.3393603360413335
Energy: 1.0846594090609205
Energy: 1.1099627308460263
Energy: 1.0984832750707036
Energy: 1.1130282125213764
Energy: 1.0815968125066073
Energy: 1.2790932811890112
Energy: 1.0825485375066382
Energy: 1.092653273114006
Energy: 1.0938805266668803
Energy: 1.0826963377590557
Energy: 1.0823857926442675
Energy: 1.5371723905846382
Energy: 1.0816477627270171
Energy: 1.116141356900037
Energy: 1.0978734973133348
Energy: 1.1120545355828222
Energy: 1.081843888340576
Energy: 1.5346001998167365
Energy: 1.0959483775068977
Energy: 1.0956725469464175
Energy: 1.0969632693589046
Energy: 1.0960168478437198
Energy: 1.0958867905193121
Energy: 1.5353150523187375
Energy: 1.0960801951829486
Energy: 1.0946256539345063
Energy: 1.0943982139018988
Energy: 1.096828217427718
Energy: 1.0949465815742565
Energy: 1.8546619309667312
Energy: 1.096118024377265
Energy: 1.0951109754151709
Energy: 1.0964267219301425
Energy: 1.0964818028460894
Energy: 1.0950581819757126
Energy: 1.8677226106318645
Energy: 1.1231832663582961
Energy: 1.0816458408133276
Energy: 1.0830809551540066
Energy: 1.0819829907135494
Energy: 1.0992999013249514
Energy: 1.5834992417760438
Energy: 1.0835382000873715
Energy: 1.081848619754881
Energy: 1.051013777278837
Energy: 1.083530428696812
Energy: 1.0948012196280077
Energy: 1.8436043824688937
Energy: 1.1132166371975358
Energy: 1.0948987069867044
Energy: 1.1063866746812598
Energy: 1.0912328763759918
Energy: 1.1213297542633724
Energy: 2.018482068317538
Energy: 1.082540590420298
Energy: 1.109503552140004
Energy: 1.065913012191236
Energy: 1.082818142097964
Energy: 1.0839691594178684
Energy: 1.8620857234768344
Energy: 1.0421789168392699
Energy: 1.0664878548208376
Energy: 1.0676387242809626
Energy: 1.0427410819699299
Energy: 1.0827578693837203
Energy: 1.8649584162585244
Energy: 1.043082812077841
Energy: 0.9853488346471213
Energy: 0.9962630611270391
Energy: 1.0424588605861662
Energy: 1.0418874152964437
Energy: 2.02501046276039
Energy: 1.0683622979529679
Energy: 0.9851207814611946
Energy: 0.9917034464940981
Energy: 1.0426355057771965
Energy: 1.0686299967552455
Energy: 2.186826490475506
Energy: 0.9858179877985912
Energy: 0.9726808349346294
Energy: 0.9733199598235215
Energy: 0.9541244890011779
Energy: 1.0688741404922164
Energy: 1.8415104935201794
Energy: 0.952829575948163
Energy: 0.8893827842662606
Energy: 0.8886491146951319
Energy: 0.9533739665402182
Energy: 1.0841364852996087
Energy: 2.0069495684251883
Energy: 1.071636425526657
Energy: 0.953327729602353
Energy: 0.8888554013154808
Energy: 0.9557951729067012
Energy: 1.06926556749591
Energy: 2.020835352992673
Energy: 1.0691322840677766
Energy: 0.8903184925506163
Energy: 0.888471015851123
Energy: 0.9532785818941112
Energy: 1.0682962788126273
Energy: 2.0376784906737537
Energy: 0.9537125575561854
Energy: 0.8884758526820229
Energy: 0.8865888615365963
Energy: 0.9538271232007058
Energy: 1.0667883432327483

minimum gb energy = 0.8865775870024192 eV
minimum distance =  2.23289900672331 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.3373142716889566
Energy: 0.29486869607717203
Energy: 0.4226273911147421
Energy: 0.42265376517634434
Energy: 0.4213192682027118
Energy: 0.29424946937081475
Energy: 0.2781452392114513
Energy: 0.4213463793444519
Energy: 0.4058830639648813
Energy: 0.406035183565634
Energy: 0.4066288079734134
Energy: 0.4216100013116284
Energy: 1.4713541974557096
Energy: 0.4059364922923475
Energy: 0.40602444176797803
Energy: 0.4060912440280757
Energy: 0.4053518935927171
Energy: 0.40635438724968254
Energy: 0.27872736968545975
Energy: 0.40565541727529625
Energy: 0.40609962541939315
Energy: 0.4061619376608665
Energy: 0.4050398672910345
Energy: 0.27804907258036016
Energy: 0.2780203659602847
Energy: 0.4050869675416976
Energy: 0.4058197459817438
Energy: 0.4060682153872286
Energy: 0.40435535026093833
Energy: 0.27816054922412026
Energy: 1.4712644064002982
Energy: 0.40556138392411784
Energy: 0.4061743802117003
Energy: 0.40678967886241435
Energy: 0.4052624920446826
Energy: 0.40619539965168666
Energy: 0.2780222907354733
Energy: 0.4215490087502939
Energy: 0.40601411376668073
Energy: 0.4062629842941353
Energy: 0.406162494602802
Energy: 0.4215908360696503

minimum gb energy = 0.2780203659602847 eV
minimum distance =  2.40336252068461 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.087903907003477
Energy: 0.999989197018935
Energy: 0.8749557148598681
Energy: 1.0446526890786092
Energy: 0.9640082319907184
Energy: 1.0640329051708477
Energy: 2.042783789972259
Energy: 1.0180695509898898
Energy: 0.859248421377901
Energy: 0.8644079126783054
Energy: 0.8607821017320756
Energy: 1.0503780408329677
Energy: 1.7123316484531959
Energy: 0.9953657060062902
Energy: 0.8682356805073974
Energy: 0.8699053029766276
Energy: 0.8681158622082649
Energy: 1.0355896320448295
Energy: 2.203683192312267
Energy: 0.9517630557364686
Energy: 0.8607451020115726
Energy: 0.8691984561105486
Energy: 0.8621647835789471
Energy: 1.0365449833296145
Energy: 1.8595331206824903
Energy: 0.9523664798766767
Energy: 0.9528693436890342
Energy: 0.9556959106557811
Energy: 0.9515690637140501
Energy: 1.0364891312763416
Energy: 1.6549531714300503
Energy: 1.0305361396165693
Energy: 0.9556305549641695
Energy: 0.9604039990238803
Energy: 0.9525272566653714
Energy: 1.0487174468171996
Energy: 1.9714725228978347
Energy: 1.0514812242599434
Energy: 0.9618226275391596
Energy: 0.966178394059792
Energy: 0.9649415611696627
Energy: 1.0497656749622803
Energy: 1.8866382401783335
Energy: 1.05161851938306
Energy: 1.0479738031814891
Energy: 1.1182154355841074
Energy: 1.0492533904112087
Energy: 1.0674217532399355
Energy: 1.9730893942638636
Energy: 1.0581378432895416
Energy: 1.0556435676772957
Energy: 1.0693191670622049
Energy: 1.0526101068648888
Energy: 1.0493944103164772
Energy: 1.6546772011420092
Energy: 1.0721589443310084
Energy: 1.0488765159002598
Energy: 1.0582950453516418
Energy: 1.0472623066938749
Energy: 1.0833120892550812
Energy: 1.898105385494412
Energy: 1.070777041682575
Energy: 1.0877311733410826
Energy: 1.1321048702845184
Energy: 1.081253875605808
Energy: 1.0709444550459573
Energy: 1.8821567699023491
Energy: 1.072327759696361
Energy: 1.0773862744228522
Energy: 1.0734885939291339
Energy: 1.0787769704275225
Energy: 1.072605545994421
Energy: 1.7969898938659243
Energy: 1.0811154155392244
Energy: 1.0746420009116533
Energy: 1.066297986178108
Energy: 1.0830118577744068
Energy: 1.110890862086813
Energy: 1.7924002575762885
Energy: 1.0775155581279219
Energy: 1.1037610669351985
Energy: 1.0759066254571743
Energy: 1.0908185246697897
Energy: 1.0785222886552261
Energy: 1.59640126106304
Energy: 1.079021485180941
Energy: 1.1085684318822406
Energy: 1.111448060435475
Energy: 1.0856331614299397
Energy: 1.0785407494844457
Energy: 1.5243283889710804
Energy: 1.1062921311136593
Energy: 1.0776430346018542
Energy: 1.0774901218879456
Energy: 1.0794921178826733
Energy: 1.095410624305429
Energy: 1.5082693478525204
Energy: 1.1113026447273995
Energy: 1.0833881512853747
Energy: 1.0841431683048435
Energy: 1.0807220934068362
Energy: 1.0932130309785748
Energy: 1.5219220519051728
Energy: 1.0724894915564323
Energy: 1.0713898165200477
Energy: 1.123169408164408
Energy: 1.067190405262302
Energy: 1.0686930259382552
Energy: 1.5109018312853082
Energy: 1.0763910677262354
Energy: 1.067553414360152
Energy: 1.0720421282629695
Energy: 1.0672088495912013
Energy: 1.0849692436426375
Energy: 1.2498473965059411
Energy: 1.043665770829651
Energy: 1.0707373006082506
Energy: 1.0754029412932606
Energy: 1.068020926061096
Energy: 1.0509723420528512
Energy: 1.2363349412380271
Energy: 1.02255589095289
Energy: 1.1016187811673948
Energy: 1.0963540856187344
Energy: 1.0184101112843782
Energy: 1.018535322047314
Energy: 1.2463849543159198
Energy: 1.0184609385589778
Energy: 1.0849476121581598
Energy: 1.138457519721514
Energy: 1.0261765805989196
Energy: 1.0235226744630372
Energy: 1.0408600246342061
Energy: 1.026463394612977
Energy: 1.0584395788849725
Energy: 1.0725442460592387
Energy: 1.0203167190754736
Energy: 1.0260735014630213
Energy: 1.0417970298726675
Energy: 1.011697827326719
Energy: 1.0616196328906926
Energy: 1.073896900538471
Energy: 1.0196917190913144
Energy: 1.014752310616585
Energy: 1.0301241258216183
Energy: 0.9903772132450377
Energy: 1.0372643608631429
Energy: 1.0938214894760612
Energy: 0.9906745904972984
Energy: 0.9988538264593989
Energy: 1.017232089294981
Energy: 0.9838630556963082
Energy: 1.0310088328441867
Energy: 1.058543773870041
Energy: 1.0253062697794044
Energy: 0.9868334778714316
Energy: 0.9046297101060213
Energy: 0.896518837369582
Energy: 1.030434451991911
Energy: 1.0581063062951244
Energy: 1.0326480418711885
Energy: 0.8992244508965695
Energy: 0.9203117440083609
Energy: 0.9127373404596217
Energy: 1.026965073317061
Energy: 1.0724778509542157
Energy: 0.9103892301299298
Energy: 0.9219925731728144
Energy: 0.9254246869475803
Energy: 0.9173047214687436
Energy: 1.0613691653907753
Energy: 1.0840447662236914
Energy: 0.9220813882907725
Energy: 0.9197489089453962
Energy: 1.017040729894584
Energy: 0.9223525358404256
Energy: 1.0382322543645437
Energy: 1.068546622513342
Energy: 0.9237580263768009
Energy: 0.9235521427621083
Energy: 1.0001320188376395
Energy: 0.9229982527458319
Energy: 1.0754375781220198
Energy: 1.123265225373925
Energy: 0.92481379464494
Energy: 0.9218239636476235
Energy: 0.9917645698354121
Energy: 0.9222424864339821
Energy: 1.0777387290782119
Energy: 1.0964680325348963
Energy: 0.9224659549548209
Energy: 0.923332619203886
Energy: 0.986317739709506
Energy: 0.9261444836689383
Energy: 1.0453383632953974
Energy: 1.076791004339696
Energy: 1.043854680930633
Energy: 0.9257738354639339
Energy: 1.2218802230649701
Energy: 1.0516589200462896
Energy: 1.0453132684118491
Energy: 1.0638338078242704
Energy: 1.045303591370638
Energy: 1.047332314144647
Energy: 1.2275659412408777
Energy: 1.045210819719648
Energy: 1.0733162324528043
Energy: 1.1134148795594163
Energy: 1.045557999492336
Energy: 1.047335462513211
Energy: 1.2353353443322457
Energy: 1.0829077863871597
Energy: 1.0828408290322058
Energy: 1.0774300091801938
Energy: 1.07086181466134
Energy: 1.0833846669888478
Energy: 1.374501910999494
Energy: 1.079343678031053
Energy: 1.0724679792322764
Energy: 1.0756557016423298
Energy: 1.0719205399182818
Energy: 1.092991998474292
Energy: 1.4599065392611996
Energy: 1.0767970335424584
Energy: 1.1074916811835136
Energy: 1.086284344436225
Energy: 1.109331218855975
Energy: 1.071276226205444
Energy: 1.504209815478662
Energy: 1.0713809990659235
Energy: 1.0810828980475697
Energy: 1.0928506364136663
Energy: 1.0953630513303259
Energy: 1.081860002495725
Energy: 1.5267745111000013
Energy: 1.0861294017168772
Energy: 1.0780031453854906
Energy: 1.0725803972744394
Energy: 1.0826443384265707
Energy: 1.0913568684732367
Energy: 1.7376556244151113
Energy: 1.0969053617372226
Energy: 1.0923349414210466
Energy: 1.099461452561428
Energy: 1.0898367648392921
Energy: 1.0806550169548612
Energy: 1.7394452873597213
Energy: 1.0780312637919884
Energy: 1.0914559764175589
Energy: 1.158762260206051
Energy: 1.0872109364160798
Energy: 1.078583474528296
Energy: 1.6547200793425032
Energy: 1.0893943033776108
Energy: 1.0727767561197457
Energy: 1.1013433796723875
Energy: 1.0713626642210348
Energy: 1.088783868342982
Energy: 1.9294514285674653
Energy: 1.072589783601381
Energy: 1.0757317617134807
Energy: 1.117000823710024
Energy: 1.0809844834804514
Energy: 1.095720311802295
Energy: 1.7540394950064548
Energy: 1.071886902844208
Energy: 1.077798384855059
Energy: 1.0928496721065013
Energy: 1.0781447504820372
Energy: 1.0740004108025882
Energy: 1.855151434857589
Energy: 1.0748869814214768
Energy: 1.0831531331545967
Energy: 1.0835703814588655
Energy: 1.0829912792759928
Energy: 1.0778833381753412
Energy: 1.6544264590798148
Energy: 1.0541508630465959
Energy: 1.0488817822453362
Energy: 1.0697291172454262
Energy: 1.0474006625851133
Energy: 1.0736939563390302
Energy: 2.047840410481895
Energy: 1.0470166207532121
Energy: 1.054935284302945
Energy: 1.0609202371058488
Energy: 1.0477961289683517
Energy: 1.0544271623995185
Energy: 2.0445497714216634
Energy: 1.0469550360552629
Energy: 0.9600684163560316
Energy: 0.9762911651643764
Energy: 0.9692423292723085
Energy: 1.054709859617
Energy: 1.7127748045956275
Energy: 1.0189023702388764
Energy: 0.9514279166851385
Energy: 0.9520014672260091
Energy: 0.9508795843925918
Energy: 1.0693738617853668
Energy: 2.0433933593846425
Energy: 0.954031648844582
Energy: 0.951369355841487
Energy: 0.9562967088637296
Energy: 0.9523253735238946
Energy: 1.0492710736059379

minimum gb energy = 0.859248421377901 eV
minimum distance =  2.237123102675 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.307909333259128
Energy: 1.1378155822769345
Energy: 0.9856788513943471
Energy: 0.9672904139224504
Energy: 1.1080562669725462
Energy: 1.2198327648153764
Energy: 1.8017991979480505
Energy: 1.1036259442716747
Energy: 0.9638584885634767
Energy: 0.9616576425541717
Energy: 0.9623238516887391
Energy: 1.2046572997869343
Energy: 1.6903617313238635
Energy: 1.0377837497040407
Energy: 0.9699586529428015
Energy: 0.9701300896199417
Energy: 0.9729231542844851
Energy: 1.1908736125942283
Energy: 1.7163085458533283
Energy: 1.0843745869300165
Energy: 0.9655207598128971
Energy: 0.9694436778165975
Energy: 0.9654618429190275
Energy: 1.1906481038067105
Energy: 1.715820003786148
Energy: 1.083938862940466
Energy: 1.0871349113680842
Energy: 1.1034990075421882
Energy: 1.0873335472823125
Energy: 1.1910710029418095
Energy: 1.6776196641165666
Energy: 1.0865268411536655
Energy: 1.0865756583554385
Energy: 1.0907000331688372
Energy: 1.0858035316187338
Energy: 1.2330797206082666
Energy: 1.7096182906032202
Energy: 1.208644564770726
Energy: 1.089507097494255
Energy: 1.0986190104458053
Energy: 1.0888415577872277
Energy: 1.208084583492452
Energy: 1.8170815486520555
Energy: 1.2036618989054357
Energy: 1.2525760172973641
Energy: 1.108008086597033
Energy: 1.2279880420831344
Energy: 1.214266791487717
Energy: 1.674454847126558
Energy: 1.2457523020176493
Energy: 1.2084982123329815
Energy: 1.2080544610304231
Energy: 1.2111220286249795
Energy: 1.214995879280027
Energy: 1.6821896451004585
Energy: 1.2170066280798373
Energy: 1.2057824611868462
Energy: 1.2164153574579275
Energy: 1.2088489753093457
Energy: 1.225733685624749
Energy: 1.572226692993445
Energy: 1.216665212657785
Energy: 1.23090551747848
Energy: 1.2254130513106336
Energy: 1.2317531299989584
Energy: 1.2170782299475682
Energy: 1.6714784271411327
Energy: 1.2278811220546333
Energy: 1.2313045853370543
Energy: 1.2158377246492353
Energy: 1.2317390824071575
Energy: 1.2286663677439
Energy: 1.4978411877681064
Energy: 1.200359166424134
Energy: 1.2170577379029985
Energy: 1.2140401948578958
Energy: 1.2267683622427616
Energy: 1.1689759134125857
Energy: 1.4872072738789086
Energy: 1.1744152897379945
Energy: 1.218939743400176
Energy: 1.25228717276541
Energy: 1.173829442696135
Energy: 1.1739322215972994
Energy: 1.4952952326957365
Energy: 1.173909065299257
Energy: 1.2242325369689013
Energy: 1.3038568777174453
Energy: 1.1667110536955292
Energy: 1.167883601431883
Energy: 1.2980897184984859
Energy: 1.1748637332844551
Energy: 1.2066208682914783
Energy: 1.2199978947715573
Energy: 1.1740643922072538
Energy: 1.1894989086198753
Energy: 1.1987071829952736
Energy: 1.157307885813305
Energy: 1.1668331894908492
Energy: 1.2712427814887914
Energy: 1.1674634789856333
Energy: 1.157295057194798
Energy: 1.1967654213440555
Energy: 1.1373071492106874
Energy: 1.1799170566657193
Energy: 1.2436729855132058
Energy: 1.1361438998337199
Energy: 1.1345255274207635
Energy: 1.1820491062779013
Energy: 1.1265055466146852
Energy: 1.1791580434782611
Energy: 1.2078374476018725
Energy: 1.1775435836515262
Energy: 1.1260909175152785
Energy: 1.029740871246665
Energy: 1.0139148412237888
Energy: 1.179423021852527
Energy: 1.2076426513610878
Energy: 1.178255094853823
Energy: 1.0124307081686943
Energy: 1.0439350287030151
Energy: 1.0292368219195729
Energy: 1.180777042639782
Energy: 1.2536897847830761
Energy: 1.0275257157255084
Energy: 1.0345753015778543
Energy: 1.0497899597896985
Energy: 1.0358226326203865
Energy: 1.2065986208394175
Energy: 1.2096787273609928
Energy: 1.0609633986283862
Energy: 1.0383452053552464
Energy: 1.0653742248437348
Energy: 1.0627325676673458
Energy: 1.203537417618125
Energy: 1.2343644633911897
Energy: 1.0555075104364735
Energy: 1.062538812908726
Energy: 1.1462429548355804
Energy: 1.0451529493221325
Energy: 1.2055087832657616
Energy: 1.2711769667373705
Energy: 1.0604197518925678
Energy: 1.0447549035545292
Energy: 1.139176346943735
Energy: 1.0445559172410135
Energy: 1.2027811978247418
Energy: 1.2648597299400666
Energy: 1.0440492079459165
Energy: 1.0446178045016044
Energy: 1.1424190415424247
Energy: 1.0610880179501867
Energy: 1.2023651151198673
Energy: 1.213891729328013
Energy: 1.203981071412402
Energy: 1.039763506120267
Energy: 1.4734776203986084
Energy: 1.2043609394376458
Energy: 1.2018997929702468
Energy: 1.2136733382859806
Energy: 1.2015390739981169
Energy: 1.2062739015718567
Energy: 1.3658111935055721
Energy: 1.2029316454884074
Energy: 1.20214639049014
Energy: 1.2898539981829769
Energy: 1.2025437757009232
Energy: 1.2125277196432453
Energy: 1.4651866244100153
Energy: 1.2163800293243987
Energy: 1.220838869525232
Energy: 1.2274070411275821
Energy: 1.2218879560288967
Energy: 1.220711865666882
Energy: 1.4828337032065022
Energy: 1.2522003523407386
Energy: 1.222090001046774
Energy: 1.2135728649931303
Energy: 1.2330190301696708
Energy: 1.237056480975821
Energy: 1.8005554608553638
Energy: 1.2329674503358512
Energy: 1.2552837252496658
Energy: 1.317249387490326
Energy: 1.2272939803538552
Energy: 1.2148705877268346
Energy: 1.6727709912877082
Energy: 1.2317701174637217
Energy: 1.2180734262538355
Energy: 1.2233177358556162
Energy: 1.2381790569650806
Energy: 1.2227940815057807
Energy: 1.6733077773761875
Energy: 1.2127474735968353
Energy: 1.2053245895058715
Energy: 1.2069602669470925
Energy: 1.2119352644235348
Energy: 1.2269362727799176
Energy: 1.7131526778091064
Energy: 1.2127011151840341
Energy: 1.211093444086782
Energy: 1.2141580879252067
Energy: 1.214352882926036
Energy: 1.2145225881010602
Energy: 1.7678729827954591
Energy: 1.2049335159863293
Energy: 1.1090756652253786
Energy: 1.092094485337786
Energy: 1.1662794447029434
Energy: 1.2080356759029591
Energy: 1.6926322778027136
Energy: 1.1853055314578176
Energy: 1.0821561642947886
Energy: 1.0856220847266873
Energy: 1.0823138548976987
Energy: 1.2338692920687566
Energy: 1.6724362684080363
Energy: 1.1669208345659952
Energy: 1.0874151061130657
Energy: 1.0832693869188377
Energy: 1.086001614208162
Energy: 1.2020940780407976
Energy: 1.682200549540441
Energy: 1.0838090947972505
Energy: 1.0868640912855023
Energy: 0.9845412753123511
Energy: 1.0825735383987327
Energy: 1.2073846238782744

minimum gb energy = 0.9616576425541717 eV
minimum distance =  2.24471998257233 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.9664848692662076
Energy: 1.3037517732426442
Energy: 1.0304320762391115
Energy: 1.0317969133181837
Energy: 1.181916338134033
Energy: 1.3270830063822314
Energy: 1.4862273851136785
Energy: 1.1753687897482081
Energy: 1.030473906009651
Energy: 1.0307107176216894
Energy: 1.0311062433187046
Energy: 1.3051135719450921
Energy: 1.439731081735779
Energy: 1.175770070348928
Energy: 1.0383021425686545
Energy: 1.0377103270774373
Energy: 1.0379788860745425
Energy: 1.2997020808739879
Energy: 1.6981720861900205
Energy: 1.1756110181289667
Energy: 1.0292505113388166
Energy: 1.0290750129321027
Energy: 1.0311160961441777
Energy: 1.3081070563658186
Energy: 1.6955472472942168
Energy: 1.175912399119662
Energy: 1.183959552618745
Energy: 1.1834794765447374
Energy: 1.1747526797448202
Energy: 1.314609423976134
Energy: 1.4600011806983038
Energy: 1.1751513364015345
Energy: 1.1797982061335295
Energy: 1.180916746612879
Energy: 1.177408772491076
Energy: 1.3428242174662026
Energy: 1.4885766496253023
Energy: 1.3309861252105946
Energy: 1.2000714489230493
Energy: 1.178094950844535
Energy: 1.1826616008304647
Energy: 1.3232617489868548
Energy: 1.6620775169379636
Energy: 1.3094235313074045
Energy: 1.3419598021996824
Energy: 1.2455410070032944
Energy: 1.3095538535289737
Energy: 1.3126976337488048
Energy: 1.460184453140292
Energy: 1.3538929050958366
Energy: 1.3573707780969688
Energy: 1.31093511735888
Energy: 1.3165105604774725
Energy: 1.3184106125322108
Energy: 1.44890910109839
Energy: 1.3186507607735911
Energy: 1.3154125990173193
Energy: 1.315160164353468
Energy: 1.3156847177084223
Energy: 1.3269027720496593
Energy: 1.6851071603035832
Energy: 1.3114615512386794
Energy: 1.336046967891945
Energy: 1.3592312389873933
Energy: 1.315612082015005
Energy: 1.3147560535298992
Energy: 1.6703941466859842
Energy: 1.309031755860348
Energy: 1.3165883749508076
Energy: 1.3253280463335908
Energy: 1.3156448180355318
Energy: 1.3269943232914794
Energy: 1.2214255768383306
Energy: 1.1986707394654024
Energy: 1.3176042046399443
Energy: 1.339755574088986
Energy: 1.3103859549522774
Energy: 1.1990892819649013
Energy: 1.2222571014908998
Energy: 1.1743469390460195
Energy: 1.343583517022862
Energy: 1.3361278495968416
Energy: 1.3030010262492095
Energy: 1.1752057552041295
Energy: 1.2244071056768637
Energy: 1.17561292049778
Energy: 1.2983761339908353
Energy: 1.325092764646226
Energy: 1.1976649268593142
Energy: 1.1763750168657587
Energy: 1.02938239209861
Energy: 1.1835065486584209
Energy: 1.3014687239467506
Energy: 1.3292555235934298
Energy: 1.1749186101586961
Energy: 1.1831643003002148
Energy: 1.0310087356392512
Energy: 1.030540446447392
Energy: 1.3040865700749364
Energy: 1.3581183509624108
Energy: 1.1756618650070887
Energy: 1.0303416492031847
Energy: 1.0385162187018442
Energy: 1.037794568480196
Energy: 1.299602887235879
Energy: 1.3760983821397224
Energy: 1.0540124775476971
Energy: 1.0377785753984867
Energy: 1.0297301614264756
Energy: 1.02942303251511
Energy: 1.1753707241232942
Energy: 1.3079295907071764
Energy: 1.1751544005455394
Energy: 1.0293276424679785
Energy: 1.269680100612524
Energy: 1.1837558490771534
Energy: 1.1761792430028644
Energy: 1.3077915816731418
Energy: 1.1755570445575338
Energy: 1.1828916490143182
Energy: 1.2235070453665162
Energy: 1.17865538512191
Energy: 1.299745877162963
Energy: 1.3326519036481534
Energy: 1.175893742107978
Energy: 1.1737206642658087
Energy: 1.2222566489665576
Energy: 1.185198004080165
Energy: 1.3156581394413187
Energy: 1.4355902997680396
Energy: 1.198495826421145
Energy: 1.1786628291454182
Energy: 1.2235490520425534
Energy: 1.326461055133927
Energy: 1.324887993721181
Energy: 1.3128151783505293
Energy: 1.2014561196864437
Energy: 1.1993928307337443
Energy: 1.4171369778419385
Energy: 1.33162335860838
Energy: 1.315908839760264
Energy: 1.3518868829593413
Energy: 1.317759587694219
Energy: 1.3095306707161198
Energy: 1.4507666947534095
Energy: 1.3314443646168228
Energy: 1.320682761636069
Energy: 1.335104317188597
Energy: 1.3154295006898578
Energy: 1.3160991765264816
Energy: 1.4493333636617893
Energy: 1.3156318323831078
Energy: 1.312732662184995
Energy: 1.3155407983784813
Energy: 1.3175003873033175
Energy: 1.3399956693663682
Energy: 1.4065407259008607
Energy: 1.3155160223818214
Energy: 1.308645472256244
Energy: 1.3241804886614492
Energy: 1.3105347250915693
Energy: 1.3163435242070889
Energy: 1.9289348613406248
Energy: 1.3094572884887206
Energy: 1.1988235918017394
Energy: 1.1777212253926503
Energy: 1.3257628919461242
Energy: 1.313229281720114
Energy: 1.4492465313694753
Energy: 1.3103843832614914
Energy: 1.174335000453695
Energy: 1.1761587238172477
Energy: 1.1742989175933531
Energy: 1.3368897630140466
Energy: 1.4496482851979873
Energy: 1.1843455009655472
Energy: 1.2000403436786855
Energy: 1.1778284666280274
Energy: 1.1783514565378654
Energy: 1.3006501664183987
Energy: 1.9096401688913103
Energy: 1.1751660904812598
Energy: 1.1829749410709423
Energy: 1.1829955521801307
Energy: 1.1751900288826913
Energy: 1.2888857681255765

minimum gb energy = 1.0290750129321027 eV
minimum distance =  2.23566639156922 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.6858234175528286
Energy: 1.474083138069514
Energy: 1.1365025629891758
Energy: 1.1282267457363164
Energy: 1.3104895871498838
Energy: 1.4747869230666848
Energy: 1.647909706068733
Energy: 1.3120756761187156
Energy: 1.1411588410680065
Energy: 1.1329334770582218
Energy: 1.1407436046511203
Energy: 1.4344396904019203
Energy: 1.674877114050058
Energy: 1.311469449488952
Energy: 1.1542141303039528
Energy: 1.1373563353627507
Energy: 1.140441450140936
Energy: 1.431580586768534
Energy: 1.6633778533929109
Energy: 1.305157784773239
Energy: 1.1409707183689208
Energy: 1.1277736374601741
Energy: 1.1374284792299854
Energy: 1.4286600321957976
Energy: 1.6580162172732058
Energy: 1.3042078177189127
Energy: 1.3105476431740055
Energy: 1.3067571290852271
Energy: 1.3102256269374677
Energy: 1.4286382378725637
Energy: 1.674061246683782
Energy: 1.3085499590248089
Energy: 1.2983603789426983
Energy: 1.304756509912038
Energy: 1.298124570628289
Energy: 1.4759269829471393
Energy: 1.6765758274166636
Energy: 1.4581991078560042
Energy: 1.3191444406890602
Energy: 1.3165353854088393
Energy: 1.3052617182456319
Energy: 1.4664740921406054
Energy: 1.3810904220719875
Energy: 1.430643806531991
Energy: 1.467944732528902
Energy: 1.1370975899262243
Energy: 1.4768560438180809
Energy: 1.4327391698786935
Energy: 1.3896272249192767
Energy: 1.4776851734052445
Energy: 1.428051843850589
Energy: 1.4832979590167892
Energy: 1.4545097573050405
Energy: 1.4679638252523044
Energy: 1.387733242430477
Energy: 1.3053298449737747
Energy: 1.430948371817969
Energy: 1.5665280353747202
Energy: 1.4312709999133173
Energy: 1.3155646974515247
Energy: 1.4092000404895932
Energy: 1.309227436564509
Energy: 1.431182446819094
Energy: 1.521523052066879
Energy: 1.3070860744341535
Energy: 1.3232363414587385
Energy: 1.392217558899608
Energy: 1.3220091561463465
Energy: 1.3045261443463372
Energy: 1.490234689331104
Energy: 1.3059780781540646
Energy: 1.3147613448286843
Energy: 1.1309447158096917
Energy: 1.138275529166018
Energy: 1.4269947780595151
Energy: 1.4280699794773952
Energy: 1.3053920699012027
Energy: 1.1350086893523392
Energy: 1.1282677442140783
Energy: 1.1609988964333513
Energy: 1.432208306109168
Energy: 1.5199600536382403
Energy: 1.160507430879103
Energy: 1.1570633255856952
Energy: 1.1277644858920257
Energy: 1.1441668736937782
Energy: 1.3095918135057787
Energy: 1.511603348478964
Energy: 1.3321877600640197
Energy: 1.126505875652606
Energy: 1.1323736459729092
Energy: 1.3099621963233739
Energy: 1.4293260715222778
Energy: 1.4292000107535936
Energy: 1.309562080313701
Energy: 1.133497300589936
Energy: 1.3897895672402212
Energy: 1.309099762714508
Energy: 1.3276966450059622
Energy: 1.3129487875397212
Energy: 1.3076874718195894
Energy: 1.3071519734553572
Energy: 1.387868171770637
Energy: 1.2968414775145745
Energy: 1.4698573512009119
Energy: 1.3134178574262056
Energy: 1.3071065729968354
Energy: 1.3167660465290312
Energy: 1.3900914012910868
Energy: 1.3134647279133185
Energy: 1.4684097946967511
Energy: 1.4966855074841183
Energy: 1.431316191519994
Energy: 1.3161682235991488
Energy: 1.388950126087106
Energy: 1.4540609517097995
Energy: 1.4309408396392396
Energy: 1.457018861124806
Energy: 1.4319365610286985
Energy: 1.4782360882804908
Energy: 1.6481652974939551
Energy: 1.4536920313365078
Energy: 1.3150970101235784
Energy: 1.3247700546264685
Energy: 1.4534270352618062
Energy: 1.4373955116170065
Energy: 1.3913234695132737
Energy: 1.4307955604435234
Energy: 1.318312059451829
Energy: 1.311548726424321
Energy: 1.3042832470384167
Energy: 1.4788908965643175
Energy: 1.672839939135985
Energy: 1.308773633158555
Energy: 1.3442101872186205
Energy: 1.3101847216551736
Energy: 1.3245552176999815
Energy: 1.431484652356626
Energy: 1.1272738459723846
Energy: 1.305422121215915
Energy: 1.3101968397855495
Energy: 1.1351338416972632
Energy: 1.3095480815789782
Energy: 1.4278446420679032

minimum gb energy = 1.126505875652606 eV
minimum distance =  2.23140905296271 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.6209192292073547
Energy: 1.4536127895345674
Energy: 1.3161457484316563
Energy: 1.5198104900798746
Energy: 1.5044680010856626
Energy: 1.4622786716804776
Energy: 1.4652421401658982
Energy: 1.5239799543660215
Energy: 1.3061993390397921
Energy: 1.3039300925472455
Energy: 1.3004804275006867
Energy: 1.5357882117002157
Energy: 1.4834429875934865
Energy: 1.5145868902519153
Energy: 1.3052056726832761
Energy: 1.3014397135868652
Energy: 1.3221603329648688
Energy: 1.4884710018143084
Energy: 1.4771612117118111
Energy: 1.4285290279175396
Energy: 1.3037368807300216
Energy: 1.3010502269197286
Energy: 1.4891178090973516
Energy: 1.4476060939253794
Energy: 1.476099952542075
Energy: 1.4274707755851277
Energy: 1.458571939821275
Energy: 1.22616029189444
Energy: 1.4592512414202838
Energy: 1.4493224112805845
Energy: 1.4820734489500764
Energy: 1.4610993924249653
Energy: 1.4607386548690926
Energy: 1.227984907990479
Energy: 1.4607230806250793
Energy: 1.5656683536247347
Energy: 1.4677858359158742
Energy: 1.5566327808089775
Energy: 1.4599627141983107
Energy: 1.248593655229356
Energy: 1.4286742758695616
Energy: 1.5548504072004985
Energy: 1.457718534339205
Energy: 1.5582329086828393
Energy: 1.6052727775446398
Energy: 1.251613717794522
Energy: 1.5634701890404243
Energy: 1.5589411921284198
Energy: 1.426207811815287
Energy: 1.5561406119479686
Energy: 1.6175571074995716
Energy: 1.606944235226473
Energy: 1.617605320395151
Energy: 1.5571202543103217
Energy: 1.4553958557161404
Energy: 1.3791947158451416
Energy: 1.6047509016557417
Energy: 1.2553894579194935
Energy: 1.5567410488963138
Energy: 1.3789786723541466
Energy: 1.4526634801368274
Energy: 1.3825534603727425
Energy: 1.37455267181483
Energy: 1.253967780842616
Energy: 1.37482119370048
Energy: 1.360430035591487
Energy: 1.454188590532995
Energy: 1.3804123801876165
Energy: 1.4640421562255197
Energy: 1.4531236523366393
Energy: 1.4544992464355417
Energy: 1.3808714835376223
Energy: 1.4876466637121195
Energy: 1.5228220304449784
Energy: 1.4557257023714503
Energy: 1.4515178437105842
Energy: 1.4550096393498109
Energy: 1.525540547048885
Energy: 1.4460727940639762
Energy: 1.3650769170253174
Energy: 1.4866234174986444
Energy: 1.315696893993957
Energy: 1.4861723098261916
Energy: 1.2276648949058164
Energy: 1.4842463489633058
Energy: 1.455550428025842
Energy: 1.4983297070287702
Energy: 1.3145572217486712
Energy: 1.3957480446155748
Energy: 1.380995728801374
Energy: 1.482149574571112
Energy: 1.5268687591394396
Energy: 1.5243160733399859
Energy: 1.4964698257631508
Energy: 1.529763539894781
Energy: 1.4720572118544812
Energy: 1.2438856745045057
Energy: 1.4973910502149923
Energy: 1.4988769767609995
Energy: 1.3003533668679974
Energy: 1.4991402884473919
Energy: 1.594624933975102

minimum gb energy = 1.22616029189444 eV
minimum distance =  2.1912386123303 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.667369002759661
Energy: 1.3014989645217754
Energy: 1.310820975963637
Energy: 1.3082239675060863
Energy: 1.3097553172735457
Energy: 1.7420380910298712
Energy: 1.3289972260787772
Energy: 1.4522407265041914
Energy: 1.3019200558204735
Energy: 1.3018578625305002
Energy: 1.3051626862817158
Energy: 1.4571077538741048
Energy: 1.3130380300973528
Energy: 1.4590250652443872
Energy: 1.305836367598537
Energy: 1.3041558769106067
Energy: 1.3057085367970258
Energy: 1.6374877931269867
Energy: 1.8244152185605724
Energy: 1.6035447598737458
Energy: 1.3231467261634273
Energy: 1.3204225163135714
Energy: 1.3209279955674917
Energy: 1.6809159102473135
Energy: 1.4229237535147083
Energy: 1.6827752767512363
Energy: 1.602198098080316
Energy: 1.3084281850651087
Energy: 1.6799963849201107
Energy: 1.606834081755716
Energy: 1.3140555812979917
Energy: 1.3060063086031393
Energy: 1.6483812849453234
Energy: 1.5184990724334617
Energy: 1.6993015665422315
Energy: 1.3096648109828306
Energy: 1.3180160146918996
Energy: 1.3214874413561073
Energy: 1.6047245301072148
Energy: 1.3091430022442847
Energy: 1.4738486048303667
Energy: 1.3214488280833736
Energy: 1.2945318585599368
Energy: 1.3039880777497395
Energy: 1.492797202233067
Energy: 1.3248067735427134
Energy: 1.3212175308866705
Energy: 1.3031877200683626
Energy: 1.3079810214665828
Energy: 1.307585716335347
Energy: 1.5421105955180734
Energy: 1.603472255598383
Energy: 1.44750924073907
Energy: 1.311162429029932
Energy: 1.4832499644811648
Energy: 1.4508846456328874
Energy: 1.448088845313704
Energy: 1.4059436226565825
Energy: 1.4500021683987563
Energy: 1.4450624996782544
Energy: 1.489476288538601
Energy: 1.4521403538574733
Energy: 1.460968628564736
Energy: 1.3100797211346509
Energy: 1.4521623270331259
Energy: 1.4520630657415878
Energy: 1.4076172685312007
Energy: 1.4505194034883306
Energy: 1.5366225703633638
Energy: 1.4045803515934496
Energy: 1.6124165127064236
Energy: 1.4455035668271718
Energy: 1.3543970972784771
Energy: 1.6061980326046117
Energy: 1.6099320992912889
Energy: 1.403193216199105
Energy: 1.6074851707718458
Energy: 1.6316958249346787
Energy: 1.9911671614439297
Energy: 1.5380021133032389
Energy: 1.5203322651570255
Energy: 1.2845585506414918
Energy: 1.652567760597833
Energy: 1.7495022469412085
Energy: 1.5539849104624015
Energy: 1.536977934534368
Energy: 1.2778448094313386
Energy: 1.279710147065417
Energy: 1.2775298970414732
Energy: 1.6066410513495695
Energy: 1.3516553893490553
Energy: 1.280243214842644
Energy: 1.2849617644248899
Energy: 1.2833773868305745
Energy: 1.2827207488747179
Energy: 1.5946981758231709
Energy: 1.8174665736757154
Energy: 1.625739213525791
Energy: 1.2789958331053113
Energy: 1.2962236980304818
Energy: 1.2783011258759065
Energy: 1.6139434156909858
Energy: 1.8176853058045623
Energy: 1.6263634594346676
Energy: 1.536255036453315
Energy: 1.2929185190011294
Energy: 1.53852091127348
Energy: 1.602154284227196
Energy: 1.4932229412408962
Energy: 1.6045047358901752
Energy: 1.601807449944569
Energy: 1.5497996775237615
Energy: 1.6027158569365216
Energy: 1.3068484708525718
Energy: 1.4858617472629683
Energy: 1.448424570805599
Energy: 1.54256053115198
Energy: 1.4753893814122405
Energy: 1.605404942956626
Energy: 1.443113325015458
Energy: 1.48409138661345
Energy: 1.4512914239747048
Energy: 1.4517276352393629
Energy: 1.319502248933319
Energy: 1.4517040075025855
Energy: 1.4461163699725885
Energy: 1.4448388585100191
Energy: 1.449638918455348
Energy: 1.5636780152100362
Energy: 1.6726528553953974
Energy: 1.4464415074747683
Energy: 1.3038148992985301
Energy: 1.3029119333859924
Energy: 1.3050899799528448
Energy: 1.453375857498763
Energy: 1.4585191579870616
Energy: 1.4444284770518725
Energy: 1.301974889147966
Energy: 1.3027509414991696
Energy: 1.3035884537953386
Energy: 1.4586526661869217
Energy: 1.3069088420963881
Energy: 1.3033246692888885
Energy: 1.3046892398720997
Energy: 1.3123050996836825
Energy: 1.3057954126920157
Energy: 1.6008057911506413
Energy: 1.5826043508081078
Energy: 1.5989477428842451
Energy: 1.3058723428806367
Energy: 1.3057974072104483
Energy: 1.6968090783421348
Energy: 1.6053503789037842
Energy: 1.4028553722903285
Energy: 1.693129286111223
Energy: 1.6820498467152236
Energy: 2.0103079383810507
Energy: 1.6974802859283085
Energy: 1.6939405566738457
Energy: 1.3082608549357426
Energy: 1.6962036047230857
Energy: 1.6494940374746738
Energy: 1.2731006746495002
Energy: 1.673037046329369
Energy: 1.319171332744221
Energy: 1.308313030531953
Energy: 1.3071039702265597
Energy: 1.60191546963636
Energy: 1.3091840912382542
Energy: 1.3099928188250891
Energy: 1.3069028683678559
Energy: 1.2980007611970663
Energy: 1.3050491119348153
Energy: 1.4217195675626872
Energy: 1.8159139622765075
Energy: 1.4446812955447637
Energy: 1.304818564482841
Energy: 1.3023996761488459
Energy: 1.304840079820904
Energy: 1.605330161453332
Energy: 1.818908792667299
Energy: 1.4597361060437
Energy: 1.446197188756101
Energy: 1.4781757751365732
Energy: 1.4479383643541883
Energy: 1.6051005321441179
Energy: 1.3111742016220085
Energy: 1.4520318761244113
Energy: 1.4548413371754885
Energy: 1.2960234378423119
Energy: 1.4570947309276745
Energy: 1.4638474904034113
Energy: 1.4741436689504055
Energy: 1.5427511754734358
Energy: 1.4444698315943971
Energy: 1.4394276455638348
Energy: 1.4443830411152572
Energy: 1.5420763851831099
Energy: 1.8227543571853189
Energy: 1.6051828005080444
Energy: 1.509623893984071
Energy: 1.3520262825118932
Energy: 1.605872038627684
Energy: 1.6058807752635278
Energy: 1.3088563172239116
Energy: 1.5440205102019828
Energy: 1.6606783032713748
Energy: 1.5292401715011266
Energy: 1.6250095920482672
Energy: 1.4033522723176857
Energy: 1.2915368722281269
Energy: 1.2820477340966703
Energy: 1.6112992372111221
Energy: 1.5264580169567223
Energy: 1.5394815711732737
Energy: 1.2910996171537579
Energy: 1.2781926653820588
Energy: 1.2819966938442378
Energy: 1.5675949021760687
Energy: 1.352156813795238
Energy: 1.287399751394597
Energy: 1.2818285522617665
Energy: 1.2889846708146606
Energy: 1.27918052555571
Energy: 1.6074178415286304
Energy: 1.3026925792727586
Energy: 1.4006983204537866
Energy: 1.279570205029676
Energy: 1.309234058546996
Energy: 1.5184703128011448
Energy: 1.6956177883861037
Energy: 1.6044013536593023
Energy: 1.5365704456746578
Energy: 1.2892756868945738
Energy: 1.6545865472042085
Energy: 1.6040853277579528
Energy: 1.6062974655933537
Energy: 1.355844518096622
Energy: 1.6060099127995962
Energy: 1.6056144709011568
Energy: 1.4752021672533195
Energy: 1.6251211249621567
Energy: 1.4510994017760286
Energy: 1.4906416562961835
Energy: 1.4857215007563962
Energy: 1.535942440332971
Energy: 1.4704491956921282
Energy: 1.4872222026699584
Energy: 1.447876726969234
Energy: 1.298159003073475
Energy: 1.4456098720747508
Energy: 1.5503237409246866
Energy: 1.6407560534232009
Energy: 1.453307768181702
Energy: 1.4470295745112103
Energy: 1.486249305737507
Energy: 1.4484372773239345
Energy: 1.5549422218107305

minimum gb energy = 1.2731006746495002 eV
minimum distance =  2.16863447287032 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.9271281124547452
Energy: 1.76863892601868
Energy: 1.4365522345555344
Energy: 1.5106492863616205
Energy: 1.6701659683429748
Energy: 1.8432380789099156
Energy: 1.3792407302343404
Energy: 1.5076048804848023
Energy: 1.3565353061087937
Energy: 1.3190156767874
Energy: 1.3358745040482374
Energy: 1.5032404893881783
Energy: 1.3448077397517944
Energy: 1.537551764781148
Energy: 1.350842443466197
Energy: 1.3099358644300265
Energy: 1.3382686451023722
Energy: 1.6717763999999122
Energy: 1.634848401768162
Energy: 1.6614280184295733
Energy: 1.3980655659809955
Energy: 1.3449712438067614
Energy: 1.3534999632643867
Energy: 1.653493509975022
Energy: 1.642302104673403
Energy: 1.6606403586688123
Energy: 1.659673628373839
Energy: 1.6312017453618686
Energy: 1.646936533509032
Energy: 1.651694390096518
Energy: 1.3374232265400465
Energy: 1.3538617151098495
Energy: 1.6294352832898389
Energy: 1.6270776555188464
Energy: 1.7091951934559466
Energy: 1.3334788730719875
Energy: 1.3307436484600992
Energy: 1.3350915835626844
Energy: 1.6674438581169726
Energy: 1.6468523231845922
Energy: 1.5291713299895533
Energy: 1.3420743825263295
Energy: 1.3271951474182455
Energy: 1.3397670140936933
Energy: 1.550079147045597
Energy: 1.3464388212613487
Energy: 1.3460814725798906
Energy: 1.3383589834796052
Energy: 1.333467711383202
Energy: 1.347616024254964
Energy: 1.6532369815981707
Energy: 1.4958188512374704
Energy: 1.5048679101025557
Energy: 1.3394376625291733
Energy: 1.640528455915973
Energy: 1.5028326089244517
Energy: 1.5293707667509484
Energy: 1.523951335333839
Energy: 1.5032696047351648
Energy: 1.5043925401150906
Energy: 1.3493483782292175
Energy: 1.5017935932908135
Energy: 1.531800641914886
Energy: 1.346557145193692
Energy: 1.5014601651184742
Energy: 1.498672032428922
Energy: 1.3438468887464947
Energy: 1.5064122180476271
Energy: 1.5027985853496622
Energy: 1.3290676211090513
Energy: 1.507157561002796
Energy: 1.533469240328441
Energy: 1.3559223542141747
Energy: 1.5010446812995348
Energy: 1.503394621226875
Energy: 1.3338976744727205
Energy: 1.5069230569693937
Energy: 1.5291510229699659
Energy: 1.9303813227638158
Energy: 1.6128753252370813
Energy: 1.360444988197934
Energy: 1.3566051669490142
Energy: 1.6044852720026759
Energy: 1.805145038262459
Energy: 1.3978210350596147
Energy: 1.5016563751205192
Energy: 1.357002966857168
Energy: 1.3229242372007528
Energy: 1.3441457758963242
Energy: 1.513039764543903
Energy: 1.3425763967941282
Energy: 1.504115135433847
Energy: 1.3397872531008241
Energy: 1.316412169873507
Energy: 1.3533236662048955
Energy: 1.502109546044132
Energy: 1.6290675366048417
Energy: 1.6594075685117398
Energy: 1.3944488862465096
Energy: 1.3378053279056725
Energy: 1.33996956769256
Energy: 1.6530395370394633
Energy: 1.6411794927748826
Energy: 1.6591081444279916
Energy: 1.6703635537626464
Energy: 1.3499427546518892
Energy: 1.6602694275308647
Energy: 1.6480208598419945
Energy: 1.3458845238591963
Energy: 1.7098835766939635
Energy: 1.6306667797194654
Energy: 1.6380787503889702
Energy: 1.7097842779259824
Energy: 1.3501042317438088
Energy: 1.3273293135657824
Energy: 1.3468235260059176
Energy: 1.6674106759894656
Energy: 1.529850804591563
Energy: 1.5281130090711708
Energy: 1.3305703117988725
Energy: 1.3250608582113577
Energy: 1.3381389751790325
Energy: 1.548429523989112
Energy: 1.3438080153833685
Energy: 1.34372772058239
Energy: 1.345492168351959
Energy: 1.337879268289726
Energy: 1.344630163041967
Energy: 1.67429491231179
Energy: 1.5247547612479813
Energy: 1.5380695260509512
Energy: 1.3315186267212094
Energy: 1.3373900889527863
Energy: 1.509001161269235
Energy: 1.5039714066224121
Energy: 1.3289012805940985
Energy: 1.5004289752086772
Energy: 1.5228450437755963
Energy: 1.3549276128452723
Energy: 1.5035473361940903
Energy: 1.554058715293915
Energy: 1.351140155087575
Energy: 1.507421008656759
Energy: 1.5010980264030525
Energy: 1.3437416933407977
Energy: 1.5263308445013424
Energy: 1.5036465317662588
Energy: 1.3375555862707977
Energy: 1.5493431762346175
Energy: 1.5300139126590997
Energy: 1.3562785034679763
Energy: 1.5066237919843937
Energy: 1.4996483841112005
Energy: 1.3301822004205412
Energy: 1.5046972488579125
Energy: 1.477374769811399
Energy: 1.918719583715144
Energy: 1.5072812060257421
Energy: 1.5724840872973436
Energy: 1.3466498427163571
Energy: 1.536735841567804
Energy: 1.6779308737091072

minimum gb energy = 1.3099358644300265 eV
minimum distance =  2.17335985573277 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.5238144629867445
Energy: 1.595149709788616
Energy: 1.405634119897505
Energy: 1.4051451062572236
Energy: 1.6237284432512413
Energy: 1.7518496325030641
Energy: 1.4525514594820712
Energy: 1.3643983310878003
Energy: 1.3723087460636063
Energy: 1.364739498541909
Energy: 1.3713690578291382
Energy: 1.52300719430501
Energy: 1.5582379484542588
Energy: 1.5416863183128482
Energy: 1.3676117753924109
Energy: 1.3615720808702132
Energy: 1.368638285887224
Energy: 1.6016987619089662
Energy: 1.606536691305957
Energy: 1.6522401289663993
Energy: 1.3726794721434399
Energy: 1.3740917623177613
Energy: 1.3888892145460003
Energy: 1.6452062487630497
Energy: 1.6096692683199596
Energy: 1.6489885759225267
Energy: 1.6490021241424448
Energy: 1.5070591295911726
Energy: 1.6456661080914257
Energy: 1.5926433503347095
Energy: 1.3418012019173045
Energy: 1.3390544048623256
Energy: 1.6400523012710562
Energy: 1.3163904997177165
Energy: 1.6401045227967057
Energy: 1.3395252336615584
Energy: 1.339858778146844
Energy: 1.343214517151908
Energy: 1.6007936627075807
Energy: 1.4982043357692383
Energy: 1.3366294564776113
Energy: 1.343107194834134
Energy: 1.3335201796357519
Energy: 1.3345130836410424
Energy: 1.52642732721274
Energy: 1.439537320908958
Energy: 1.3351530702158472
Energy: 1.3347177888152437
Energy: 1.3434316620333775
Energy: 1.3403266214213077
Energy: 1.6623382846095214
Energy: 1.6484434044791856
Energy: 1.5700543013545714
Energy: 1.341183023955012
Energy: 1.6990041517043086
Energy: 1.6454552490978571
Energy: 1.6440628592165258
Energy: 1.4402146322697307
Energy: 1.6454861825912002
Energy: 1.6612282816466866
Energy: 1.7002643235488129
Energy: 1.6478568680234182
Energy: 1.386801478181446
Energy: 1.3811772169434913
Energy: 1.611918689544845
Energy: 1.6311093542271708
Energy: 1.6850049549919541
Energy: 1.6328327236335378
Energy: 1.375504746644942
Energy: 1.3764904512850316
Energy: 1.3747821389564445
Energy: 1.616035180530983
Energy: 1.4760387370097872
Energy: 1.4920009662607352
Energy: 1.3770046888104208
Energy: 1.3766162480774882
Energy: 1.3796676800419327
Energy: 1.5136569325831428
Energy: 1.4945830888148413
Energy: 1.4820657857553343
Energy: 1.3872412114562438
Energy: 1.381497327924537
Energy: 1.4846234370627454
Energy: 1.5899039255866234
Energy: 1.418147184276393
Energy: 1.4886782525316415
Energy: 1.478782662051394
Energy: 1.3903634402537681
Energy: 1.4812756267970932
Energy: 1.4748609611406085
Energy: 1.6856809144781162
Energy: 1.5541504101789518
Energy: 1.4755032094320142
Energy: 1.4423666025639574
Energy: 1.4940061610267417
Energy: 1.5849082645166683
Energy: 1.6822570931554028
Energy: 1.553044842016163
Energy: 1.48119549050955
Energy: 1.3953800978770068
Energy: 1.5321601192440062
Energy: 1.5430326963224807
Energy: 1.6854773971734864
Energy: 1.545505003180037
Energy: 1.6030323031380105
Energy: 1.3988112178169096
Energy: 1.5575619742415656
Energy: 1.5473366367056327
Energy: 1.3997739799734832
Energy: 1.8017131785087044
Energy: 1.8101634679532734
Energy: 1.7292606343859198
Energy: 1.7102321804927603
Energy: 1.3975393848831414
Energy: 1.446518931670122
Energy: 1.4178252443018882
Energy: 1.6025457132338363
Energy: 1.3966936112498727
Energy: 1.407930426474516
Energy: 1.413805465578201
Energy: 1.444436392624507
Energy: 1.42018105101528
Energy: 1.6120340523602628
Energy: 1.3922359596216902
Energy: 1.4862551555806478
Energy: 1.404082867218173
Energy: 1.4531357729754946
Energy: 1.3327305325800072
Energy: 1.6285089207881158
Energy: 1.4730157165133058
Energy: 1.628075470460729
Energy: 1.3262407706785664
Energy: 1.3784759382887157
Energy: 1.632340842824952
Energy: 1.6130094940326225
Energy: 1.3904760627205923
Energy: 1.6189343487254315
Energy: 1.6350530898857099
Energy: 1.7083154658710549
Energy: 1.6527208930250203
Energy: 1.3506722614084063
Energy: 1.35192514995516
Energy: 1.6526484861995243
Energy: 1.6391357272666767
Energy: 1.3685618786021625
Energy: 1.628262544868006
Energy: 1.3490271235392657
Energy: 1.347546348876494
Energy: 1.3520906895500255
Energy: 1.6405925851838035
Energy: 1.51701285933282
Energy: 1.4530980341571007
Energy: 1.3440749154877518
Energy: 1.342006121425048
Energy: 1.343406024472487
Energy: 1.6927031480076227
Energy: 1.4906689579507693
Energy: 1.6488737079910647
Energy: 1.3553782277830289
Energy: 1.3544533937566003
Energy: 1.4546274443071834
Energy: 1.654791821270485
Energy: 1.5378823073933272
Energy: 1.6611609509744376
Energy: 1.6506071447961277
Energy: 1.368463449987579
Energy: 1.64955068348283
Energy: 1.6567815880716177
Energy: 1.3720493046393976
Energy: 1.3684491080788397
Energy: 1.6600355746365896
Energy: 1.6187188970398787
Energy: 1.6778349998935673
Energy: 1.3679673305606528
Energy: 1.3653268059089017
Energy: 1.3675076684183336
Energy: 1.6662503951660692
Energy: 1.6044281488717131
Energy: 1.5400555596304208
Energy: 1.365976123554334
Energy: 1.3686017104105888
Energy: 1.3723789677116294
Energy: 1.4514893558067217
Energy: 1.5835873524742055
Energy: 1.3764571819723255
Energy: 1.3714569863231474
Energy: 1.3694650246066276
Energy: 1.3672164724524876
Energy: 1.5894074499432451
Energy: 1.4917810571843748
Energy: 1.4591201633618607
Energy: 1.3682150253789542
Energy: 1.610228614834568
Energy: 1.5163146615287273
Energy: 1.5191330278634478
Energy: 1.508606503514212
Energy: 1.5163971660700841
Energy: 1.450238305215461
Energy: 1.6057537891985778
Energy: 1.516908293265875
Energy: 1.535122659451414
Energy: 1.6087247162670888
Energy: 1.5498498719746854
Energy: 1.5144319068643612
Energy: 1.5566600857495863
Energy: 1.5164227427408972
Energy: 1.520710221306632
Energy: 1.368305576756016
Energy: 1.5203174689719912
Energy: 1.4602705236929567
Energy: 1.4511441363353037
Energy: 1.5208430247319025
Energy: 1.520954062799348
Energy: 1.3657191290321726
Energy: 1.5201536529041442
Energy: 1.58323064965647

minimum gb energy = 1.3163904997177165 eV
minimum distance =  2.19412139593449 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.3328178313526382
Energy: 1.3592094403449106
Energy: 1.548749592292325
Energy: 1.5399455289243442
Energy: 1.6059236104315517
Energy: 1.3595651551356471
Energy: 1.366730425492582
Energy: 1.4166248111392425
Energy: 1.3656330114495328
Energy: 1.3669079225886709
Energy: 1.3668399200607013
Energy: 1.4155122294956182
Energy: 1.42862928015454
Energy: 1.417437361462784
Energy: 1.3652060244266564
Energy: 1.3650217880714095
Energy: 1.3657544148630882
Energy: 1.415240443185113
Energy: 1.4272503593901216
Energy: 1.415708202673037
Energy: 1.3699863429100811
Energy: 1.3626461343406493
Energy: 1.4160738981694068
Energy: 1.4210057081970215
Energy: 1.424430127188096
Energy: 1.4152685042960667
Energy: 1.4161626824600078
Energy: 1.3589456740749668
Energy: 1.4172364734609089
Energy: 1.4180461010325571
Energy: 1.3765969978202603
Energy: 1.5413436131335283
Energy: 1.3598273704201294
Energy: 1.3403241501445302
Energy: 1.4157430683413452
Energy: 1.3688333943022863
Energy: 1.3786899335899618
Energy: 1.365746824948568
Energy: 1.418766639400505
Energy: 1.3651905056697893
Energy: 1.5387473721547247
Energy: 1.3655044952786477
Energy: 1.379806580809748
Energy: 1.3662954312152902
Energy: 1.4153369623808356
Energy: 1.4173054475212452
Energy: 1.4146348820833097
Energy: 1.3618240128268508
Energy: 1.5449684218988118
Energy: 1.3644480909753804
Energy: 1.417446950592941
Energy: 1.4157668594204103
Energy: 1.4153464732275578
Energy: 1.3682246174929522
Energy: 1.3692075376111594
Energy: 1.414708799823271
Energy: 1.4148414294801668
Energy: 1.4144477793920145
Energy: 1.4186501305200834
Energy: 1.418725857861011

minimum gb energy = 1.3328178313526382 eV
minimum distance =  2.24763987377281 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.6155436549861524
Energy: 1.4109032001445125
Energy: 1.6195430872507404
Energy: 1.5438845868402689
Energy: 1.4789952547459733
Energy: 1.744573247636684
Energy: 1.6515376848700463
Energy: 1.4730312577384228
Energy: 1.4805552305849656
Energy: 1.4774716813511939
Energy: 1.3403112246092361
Energy: 1.5198444185486086
Energy: 1.497562732559843
Energy: 1.412805515188642
Energy: 1.3424821245518588
Energy: 1.4777857245283303
Energy: 1.3423956136436896
Energy: 1.477315979610919
Energy: 1.474992820828193
Energy: 1.5070667863756393
Energy: 1.3543026587169513
Energy: 1.4984392261380057
Energy: 1.4919519917904143
Energy: 1.502342307877225
Energy: 1.4772467428692402
Energy: 1.5359465464199233
Energy: 1.6102527527739388
Energy: 1.692399505948813
Energy: 1.5325189566605566
Energy: 1.477001322276939
Energy: 1.5930027256253008
Energy: 1.4893192726282414
Energy: 1.5793379382549566
Energy: 1.5693279951965557
Energy: 1.4762749476004555
Energy: 1.54585320033023
Energy: 1.6086656904089278
Energy: 1.529227593675819
Energy: 1.5040304253548922
Energy: 1.4965694206519988
Energy: 1.6719534080529797
Energy: 1.5028983174868122
Energy: 1.6098464581582124
Energy: 1.503840463236774
Energy: 1.3536289772404548
Energy: 1.3512700978572822
Energy: 1.3448050871822275
Energy: 1.513277985013895
Energy: 1.6937246706586477
Energy: 1.3456006472719457
Energy: 1.3414488895387846
Energy: 1.320433490906015
Energy: 1.3427419559632474
Energy: 1.7015570618566205
Energy: 1.6946924208422682
Energy: 1.3401775815113357
Energy: 1.3506738689434348
Energy: 1.32294783960265
Energy: 1.3456285282258234
Energy: 1.6027587135028258
Energy: 1.590469798696621
Energy: 1.583053985968709
Energy: 1.5738297187618007
Energy: 1.3456726680018685
Energy: 1.5986036716429706
Energy: 1.7073439362692904
Energy: 1.694013427510981
Energy: 1.6496316487688125
Energy: 1.3444684972682603
Energy: 1.7222707208313226
Energy: 1.7038958491430138
Energy: 1.6174031596249168
Energy: 1.3169951928696007
Energy: 1.34669523406218
Energy: 1.3447585816949035
Energy: 1.722669319791095
Energy: 1.3397340003383975
Energy: 1.3502040808445883
Energy: 1.314526387527052
Energy: 1.3440016231424299
Energy: 1.3407900244930397
Energy: 1.693955301757643
Energy: 1.3411058046232465
Energy: 1.332863382103743
Energy: 1.3374872514417901
Energy: 1.3415745833686945
Energy: 1.3397874738118287
Energy: 1.681256816799116
Energy: 1.480066703710205
Energy: 1.3541225238826546
Energy: 1.3460981021611726
Energy: 1.5597003630697113
Energy: 1.7168957801090312
Energy: 1.6811453857914929
Energy: 1.557127970429461
Energy: 1.3534647744911197
Energy: 1.6505371420965678
Energy: 1.341345618871285
Energy: 1.6998180908728406
Energy: 1.5922014724813565
Energy: 1.569982058375193
Energy: 1.3195762839828993
Energy: 1.7254938459997005
Energy: 1.4814123957996628
Energy: 1.4765933676122591
Energy: 1.4963565332459647
Energy: 1.339757627483714
Energy: 1.6530034304140555
Energy: 1.4973553172827705
Energy: 1.494167263383295
Energy: 1.5047139023334564
Energy: 1.5013133117113246
Energy: 1.504435634020437
Energy: 1.5161584284858125
Energy: 1.474321997565444
Energy: 1.3419071346655567
Energy: 1.3427422748275835
Energy: 1.479814883476687
Energy: 1.3409072574370027
Energy: 1.5027483835983204
Energy: 1.4733147574334233
Energy: 1.5052431773581472
Energy: 1.5245472612024924
Energy: 1.4954439801851778
Energy: 1.504589127484298
Energy: 1.50452668297199
Energy: 1.4759740673337016
Energy: 1.4770608412603343
Energy: 1.5663357690923365
Energy: 1.5163734450371888
Energy: 1.4839673536231721
Energy: 1.4897270976510717
Energy: 1.6804275822200228
Energy: 1.4781554838811317
Energy: 1.6110042250789733
Energy: 1.6927206723222064
Energy: 1.6756328097180533
Energy: 1.6994358708328319
Energy: 1.6132781915767476
Energy: 1.7237135880746643
Energy: 1.3548823792466302
Energy: 1.351079884568621
Energy: 1.5866487147303876
Energy: 1.663322768190282
Energy: 1.6800828095280582
Energy: 1.4809618194357896
Energy: 1.3420856739932672
Energy: 1.3446508314476477
Energy: 1.3433252742900081
Energy: 1.699249240444404
Energy: 1.6946017182959696
Energy: 1.3414842812053334
Energy: 1.355664622397403
Energy: 1.340457923403391
Energy: 1.3421460250818955
Energy: 1.4490545380913078
Energy: 1.5903173041277783
Energy: 1.5829082073606313
Energy: 1.3552992580644567
Energy: 1.3445678493907747
Energy: 1.5170782724603562
Energy: 1.7139703368835748
Energy: 1.6941537828603346
Energy: 1.5171229135809878
Energy: 1.5178598335424016
Energy: 1.722838134769406
Energy: 1.5167351138404925
Energy: 1.60269060739037
Energy: 1.344465514651658
Energy: 1.347625688561486
Energy: 1.7537474466379652
Energy: 1.3442334611190658
Energy: 1.5673288772383993
Energy: 1.354275200754381
Energy: 1.3224665401894995
Energy: 1.3407585649688143
Energy: 1.3433542841168826
Energy: 1.6945931956037055
Energy: 1.338862438389161
Energy: 1.33600404828075
Energy: 1.3198918089867118
Energy: 1.3422256543701097
Energy: 1.480915807326847
Energy: 1.6863049104736414
Energy: 1.3422335610993168
Energy: 1.3375922501785151
Energy: 1.337771759671906
Energy: 1.4946087546831812
Energy: 1.7157620082860179
Energy: 1.7171345074933018
Energy: 1.5553121654011435
Energy: 1.3562258924119783
Energy: 1.6476581626401352
Energy: 1.6109481836719295
Energy: 1.4942486528688086
Energy: 1.6814337493054021
Energy: 1.3441475332699029
Energy: 1.6527563496915862

minimum gb energy = 1.314526387527052 eV
minimum distance =  2.22577071653829 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.7823570428045263
Energy: 1.8231026969391544
Energy: 1.5837875753468882
Energy: 1.4951790283191633
Energy: 1.8245568101977452
Energy: 1.8230168575667438
Energy: 1.6334477289476528
Energy: 1.4410059519367402
Energy: 1.5110565831912295
Energy: 1.4623131804677536
Energy: 1.4184650198283482
Energy: 1.5426798987362003
Energy: 1.4714317385955997
Energy: 1.3305355633691498
Energy: 1.5053431314937085
Energy: 1.4587735998275138
Energy: 1.4207644270745143
Energy: 1.4555661880680264
Energy: 1.4601263459805174
Energy: 1.4937856698878398
Energy: 1.3549993488656291
Energy: 1.4531177314337722
Energy: 1.3479328650905693
Energy: 1.4898574484121918
Energy: 1.4751892147394137
Energy: 1.5389732590289757
Energy: 1.6587155087741094
Energy: 1.4549931980299526
Energy: 1.516423419907981
Energy: 1.4890433038045687
Energy: 1.5065106281803904
Energy: 1.5432604856113992
Energy: 1.781914127985864
Energy: 1.51707512061227
Energy: 1.7629226048525437
Energy: 1.5343118465428507
Energy: 1.6407700530082268
Energy: 1.5260649044230028
Energy: 1.5460332790818627
Energy: 1.2892217066875356
Energy: 1.531757901574106
Energy: 1.5316360464964462
Energy: 1.6419243869936444
Energy: 1.5265223533938517
Energy: 1.3396893254543047
Energy: 1.2902099768100315
Energy: 1.3202168374702523
Energy: 1.718672538807286
Energy: 1.650611265491183
Energy: 1.296095017101486
Energy: 1.2854566037949395
Energy: 1.2710674317319235
Energy: 1.2926838268392062
Energy: 1.5192694306008743
Energy: 1.666358939291499
Energy: 1.4486601376656054
Energy: 1.3237686022404125
Energy: 1.2916498614707899
Energy: 1.33748317081151
Energy: 1.566572377309309
Energy: 1.6662308866557
Energy: 1.7931318296592178
Energy: 1.5827724737890443
Energy: 1.2930061741441128
Energy: 1.7002162060074755
Energy: 1.7771722585417262
Energy: 1.6531208731106568
Energy: 1.704612283654758
Energy: 1.2676152096560223
Energy: 1.6593169818664457
Energy: 1.4218659858150966
Energy: 1.6504256295104642
Energy: 1.4542036827627611
Energy: 1.4508461440007652
Energy: 1.267951479153326
Energy: 1.6315134367263522
Energy: 1.4428889975870964
Energy: 1.47971825689231
Energy: 1.460042207568625
Energy: 1.4984824311579013
Energy: 1.3376102731184596
Energy: 1.4547149073868981
Energy: 1.4195999008901066
Energy: 1.491922842029698
Energy: 1.4518141731780452
Energy: 1.4436928046780555
Energy: 1.5076150419858247
Energy: 1.4714847126690993
Energy: 1.4473553683330829
Energy: 1.4242257686446254
Energy: 1.4543807053477054
Energy: 1.441330875514295
Energy: 1.5110892417998911
Energy: 1.4577881551883822
Energy: 1.5229755373330018
Energy: 1.3612288305637352
Energy: 1.6645842383523632
Energy: 1.268868712457172
Energy: 1.4793449421171072
Energy: 1.4719445479251363
Energy: 1.4861877380457627
Energy: 1.552222760905239
Energy: 1.6688327494522326
Energy: 1.445457540735763
Energy: 1.5164531841800521
Energy: 1.6668563881149119
Energy: 1.5259239535603515
Energy: 1.2705451553114777
Energy: 1.2757443605970376
Energy: 1.3290765056534104
Energy: 1.7097104445805558
Energy: 1.7098001685239173
Energy: 1.7805070081566403
Energy: 1.3438124359938683
Energy: 1.2865505023519548
Energy: 1.2903059821333185
Energy: 1.3476450726422282
Energy: 1.6646150551400378
Energy: 1.2956502182172533
Energy: 1.289228372207642
Energy: 1.270727991463102
Energy: 1.2864096844303812
Energy: 1.2937542581922123
Energy: 1.6539210877416284
Energy: 1.297844878168194
Energy: 1.270596715990161
Energy: 1.2897831897321794
Energy: 1.3388858182827084
Energy: 1.79182858109665
Energy: 1.4586683395802102
Energy: 1.6937456194154978
Energy: 1.3203970976673527
Energy: 1.6346375972909875
Energy: 1.450705491004959
Energy: 1.5379509156173052
Energy: 1.6508250397989646
Energy: 1.4452875417590156
Energy: 1.442679120037

minimum gb energy = 1.2676152096560223 eV
minimum distance =  2.22269866275249 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.7785816308143527
Energy: 1.733046109564481
Energy: 1.5875691782672008
Energy: 1.5836318565980094
Energy: 1.5950761414765395
Energy: 1.8452927825813255
Energy: 1.4729485113434724
Energy: 1.4599110848651957
Energy: 1.6421323797982699
Energy: 1.540310985101061
Energy: 1.4620706026063663
Energy: 1.456683462553523
Energy: 1.3395686469474055
Energy: 1.3579866002019791
Energy: 1.5686503689173013
Energy: 1.4685767950859532
Energy: 1.4564104530918052
Energy: 1.336432015675759
Energy: 1.3237023507657644
Energy: 1.3537346322589594
Energy: 1.3496547722852767
Energy: 1.5387194029677713
Energy: 1.3283605322817693
Energy: 1.347605662585482
Energy: 1.3391593002023545
Energy: 1.3262089930830498
Energy: 1.461560443650027
Energy: 1.4674115819438394
Energy: 1.3235985511276858
Energy: 1.3476937381072354
Energy: 1.3373417262623417
Energy: 1.4881328578301174
Energy: 1.6730085539750066
Energy: 1.8098606606919292
Energy: 1.7965979506355423
Energy: 1.3546106492630852
Energy: 1.5866129469208836
Energy: 1.351238627335118
Energy: 1.6782653366874285
Energy: 1.4706823767859363
Energy: 1.6423150194488578
Energy: 1.4223540844828544
Energy: 1.5867952166167243
Energy: 1.2818122986622278
Energy: 1.3246949783347446
Energy: 1.3406033826978956
Energy: 1.350082200986728
Energy: 1.4644115030155267
Energy: 1.5170308127622527
Energy: 1.3230699638392234
Energy: 1.3582690824597499
Energy: 1.322118171467498
Energy: 1.3639014644079224
Energy: 1.5069649540717946
Energy: 1.5304917316378757
Energy: 1.4194705428307133
Energy: 1.3610242374643675
Energy: 1.3256112042716306
Energy: 1.3275435289178177
Energy: 1.5692816612284048
Energy: 1.5322554537310789
Energy: 1.615341570810361
Energy: 1.3422958584160551
Energy: 1.3624170990508204
Energy: 1.4189703571907648
Energy: 1.6210215590648682
Energy: 1.5384194458316898
Energy: 1.5340862968178095
Energy: 1.2436117588696067
Energy: 1.47265102266738
Energy: 1.3257242036480315
Energy: 1.5312035384192313
Energy: 1.6636699524953367
Energy: 1.7338817084884046
Energy: 1.2324799363296748
Energy: 1.6328033265178952
Energy: 1.2430104564650317
Energy: 1.6018486623200294
Energy: 1.6375047270676015
Energy: 1.8140147854401005
Energy: 1.2369262408809816
Energy: 1.234342992401167
Energy: 1.3282730922508819
Energy: 1.7658082963870838
Energy: 1.6390094989155446
Energy: 1.3451222010105566
Energy: 1.2395688424720306
Energy: 1.2347499853803439
Energy: 1.2386626445386988
Energy: 1.5477447000288784
Energy: 1.6037733105817034
Energy: 1.2695488420455288
Energy: 1.2322316710723995
Energy: 1.2236726867139347
Energy: 1.2468932417066303
Energy: 1.6769157172865958
Energy: 1.5299627616193843
Energy: 1.6358521007359825
Energy: 1.2530213257752327
Energy: 1.2291119726194848
Energy: 1.2600260006617972
Energy: 1.621339994838432
Energy: 1.6496026969935078
Energy: 1.4585010745808296
Energy: 1.462476785437085
Energy: 1.3661479608019476
Energy: 1.6374531767222584
Energy: 1.532052384850078
Energy: 1.5684890510573255
Energy: 1.5763760906574247
Energy: 1.4345416144945253
Energy: 1.8521682918149378
Energy: 1.7015284629177347
Energy: 1.5723836710192314
Energy: 1.536914101644596
Energy: 1.4600127502733409
Energy: 1.399275999432112
Energy: 1.4920936481447888
Energy: 1.4623107060793683
Energy: 1.5315822732977082
Energy: 1.4178798860410378
Energy: 1.5687417165269948
Energy: 1.3426457524658328
Energy: 1.340956373423808
Energy: 1.4750659824187204
Energy: 1.6148706614334594
Energy: 1.539694699128761
Energy: 1.3530707433754685
Energy: 1.3494491649525628
Energy: 1.3499127659777044
Energy: 1.364761012565491
Energy: 1.530943619823584
Energy: 1.4678709894399966
Energy: 1.3795380801699193
Energy: 1.3353707056859667
Energy: 1.3371948107889322
Energy: 1.3895145592407874
Energy: 1.6337240130907302
Energy: 1.658513628721983
Energy: 1.8014069989588521
Energy: 1.349802489946703
Energy: 1.3425243214439349
Energy: 1.4998125614762123
Energy: 1.8077705787427654
Energy: 1.468867170004553
Energy: 1.6593268272502015
Energy: 1.3261192203041081
Energy: 1.4956767858484887
Energy: 1.378962753608972
Energy: 1.6707754565168513
Energy: 1.3352461352778422
Energy: 1.3505710138299643
Energy: 1.845978335801993
Energy: 1.6360581685866562
Energy: 1.2683577458261137
Energy: 1.3348032332062723
Energy: 1.323707790156023
Energy: 1.3526681806404237
Energy: 1.3254364145268045
Energy: 1.5605304593456768
Energy: 1.3573424035681574
Energy: 1.3480137599865722
Energy: 1.3230176379250467
Energy: 1.3256753075426406
Energy: 1.3504212306308325
Energy: 1.5320845023004728
Energy: 1.343268813377488
Energy: 1.3537888533937064
Energy: 1.3368483647460467
Energy: 1.35716002609689
Energy: 1.6178736196896926
Energy: 1.627557731401768
Energy: 1.6172089990958058
Energy: 1.3337573478787073
Energy: 1.53852640564266
Energy: 1.411465497447634
Energy: 1.5319680579977781
Energy: 1.5324394473536747
Energy: 1.5315094708117498
Energy: 1.3243703527695796
Energy: 1.5117234276171239
Energy: 1.2467437255213734
Energy: 1.6021510350209955
Energy: 1.6636230634202631
Energy: 1.7289514895363214
Energy: 1.3417679648540086
Energy: 1.3717115930266306
Energy: 1.4889138973308431
Energy: 1.6173403682754475
Energy: 1.6372330348747053
Energy: 1.6162151021533089
Energy: 1.3328800273114916
Energy: 1.2277635687504949
Energy: 1.249643942443156
Energy: 1.4182792052157467
Energy: 1.6364457748289112
Energy: 1.3389291159692507
Energy: 1.238023843870677
Energy: 1.2253607073652686
Energy: 1.2315817312767583
Energy: 1.2295718974852534
Energy: 1.6037272531348008
Energy: 1.2405548119661212
Energy: 1.2268736044186173
Energy: 1.2285068640791923
Energy: 1.2626596278641076
Energy: 1.5717557335899046
Energy: 1.5598297556754879
Energy: 1.3550942355629711
Energy: 1.244183375304913
Energy: 1.3687188028100148
Energy: 1.6359325941093847
Energy: 1.622753130392796
Energy: 1.6647890496974298
Energy: 1.459398596828378
Energy: 1.3513567165472378
Energy: 1.573627329320943
Energy: 1.3793051912514493
Energy: 1.6248796706111175
Energy: 1.6583799669327073
Energy: 1.7012975311914877
Energy: 1.852338922067703

minimum gb energy = 1.2236726867139347 eV
minimum distance =  2.22137444919427 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.888696485988739
Energy: 1.733255990896055
Energy: 1.3252994643209106
Energy: 1.3363992008941479
Energy: 1.324148642738421
Energy: 1.7334734440802404
Energy: 1.586848913060032
Energy: 1.0936201031900294
Energy: 1.095135443156747
Energy: 1.3712905201261325
Energy: 1.0903973951705217
Energy: 1.3488205515867338
Energy: 1.3225511697950172
Energy: 1.0899197427024858
Energy: 1.090681518885749
Energy: 1.0397491658054363
Energy: 1.0934301044176238
Energy: 1.3587106116363177
Energy: 1.3757542711652544
Energy: 1.4129308817545052
Energy: 1.0953462807209264
Energy: 1.3259797604615542
Energy: 1.0950341344731729
Energy: 1.4024207365374939
Energy: 1.3235852470208753
Energy: 1.3656022947872184
Energy: 1.462086511203201
Energy: 1.3290078593970098
Energy: 1.4516561859208783
Energy: 1.336538805527657
Energy: 1.3235507458482718
Energy: 1.335286671166048
Energy: 1.7294441605567592
Energy: 1.390634317992322
Energy: 1.7088770155566515
Energy: 1.3357656812037457
Energy: 1.6122260673874953
Energy: 1.412716530891568
Energy: 1.0909061789801484
Energy: 1.3189525536212325
Energy: 1.441301001365189
Energy: 1.6861920091519578
Energy: 1.6409744083242988
Energy: 1.409201311495178
Energy: 1.3471887772761215
Energy: 1.320738621217066
Energy: 1.1010214027141836
Energy: 1.7439304550709895
Energy: 1.3203428357221252
Energy: 1.0998282034417393
Energy: 1.089713271237352
Energy: 1.0390052422474232
Energy: 1.0968526629361348
Energy: 1.3439024476818375
Energy: 1.3301064109516811
Energy: 1.0979425350837786
Energy: 1.0893740985029503
Energy: 1.3705059868975253
Energy: 1.097651669230327
Energy: 1.3427990744045304
Energy: 1.3294833518958884
Energy: 1.4126736310864614
Energy: 1.089941171175457
Energy: 1.323866815838242
Energy: 1.4046351682799947
Energy: 1.402396509800339
Energy: 1.320012037116401
Energy: 1.338064624783881
Energy: 1.1011602417237984
Energy: 1.3260866669612277
Energy: 1.0936053482626238
Energy: 1.3326276481291635
Energy: 1.3156914449350883
Energy: 1.3403865450532133
Energy: 1.0996764168470414
Energy: 1.3790183303043722
Energy: 1.0960562139279313
Energy: 1.344059510280014
Energy: 1.6547797365872772
Energy: 1.4182017686247446
Energy: 1.3390152851109043
Energy: 1.322222315792335
Energy: 1.3439984806887841
Energy: 1.7359072697553461

minimum gb energy = 1.0390052422474232 eV
minimum distance =  2.22146455586508 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.7815845390888247
Energy: 1.5095329529614578
Energy: 1.474664397290002
Energy: 1.4691460809968284
Energy: 1.4373846022924592
Energy: 1.901166899469276
Energy: 1.2569354894075
Energy: 1.4724099267534856
Energy: 1.428771266843812
Energy: 1.4803797736351347
Energy: 1.3813364726090795
Energy: 1.287923947988802
Energy: 1.2707014109325614
Energy: 1.2795528616409138
Energy: 1.4305382314817316
Energy: 1.5692711446510408
Energy: 1.4312532473898518
Energy: 1.272860002784138
Energy: 1.2679309266830554
Energy: 1.2760282873196558
Energy: 1.2785615119099225
Energy: 1.5317942538144342
Energy: 1.2807501616476076
Energy: 1.2821376793902222
Energy: 1.2666791416811036
Energy: 1.2945046299606466
Energy: 1.282401578247119
Energy: 1.5302465316926075
Energy: 1.279308835658293
Energy: 1.2746947269166629
Energy: 1.267947524693186
Energy: 1.2811122010914948
Energy: 1.7290231318454907
Energy: 1.6226096645181582
Energy: 1.730873300322405
Energy: 1.2691768873639637
Energy: 1.3673176287130862
Energy: 1.3796340976419088
Energy: 1.55295242693697
Energy: 1.549760684956288
Energy: 1.6092200067855578
Energy: 1.4174514748157514
Energy: 1.629566273647525
Energy: 1.4155936746198916
Energy: 1.4389549230886494
Energy: 1.4387220103795924
Energy: 1.4388589360458803
Energy: 1.7225698382720476
Energy: 1.271190970199714
Energy: 1.279870580061123
Energy: 1.4269509851719246
Energy: 1.7454696059644876
Energy: 1.382682724411943
Energy: 1.268354321237947
Energy: 1.3656160596480926
Energy: 1.3832919299365067
Energy: 1.382572615615364
Energy: 1.7454432103555064
Energy: 1.3861759805278553
Energy: 1.3726033205645973
Energy: 1.3804360917695333
Energy: 1.4139274719527752
Energy: 1.3089415986160662
Energy: 1.4167728457950768
Energy: 1.3883300269617014
Energy: 1.4133050056060061
Energy: 1.379869266562057
Energy: 1.308061399068246
Energy: 1.4131423663837757
Energy: 1.380507072109893
Energy: 1.3884425362943411
Energy: 1.43397567028078
Energy: 1.424626346169516
Energy: 1.41571561998155
Energy: 1.3991942060626015
Energy: 1.3766148320210134
Energy: 1.413493269960422
Energy: 1.4158287214655
Energy: 1.6076004730132782
Energy: 1.3911044239579122
Energy: 1.3864799531581289
Energy: 1.262457903118744
Energy: 1.3944719394110519
Energy: 1.381331533211252
Energy: 1.5145127330859842
Energy: 1.3806834687635479
Energy: 1.282458974832315
Energy: 1.2678619894924923
Energy: 1.433570319652767
Energy: 1.58038740692082
Energy: 1.4395827841175068
Energy: 1.4482521981805343
Energy: 1.495211010333756
Energy: 1.8980815244345755
Energy: 1.5355321144939138
Energy: 1.4394600183826485
Energy: 1.5287938911608525
Energy: 1.4253308150293937
Energy: 1.4649905326912889
Energy: 1.2546401655653148
Energy: 1.4682194342832273
Energy: 1.523521825582482
Energy: 1.472273618478295
Energy: 1.4313335176507698
Energy: 1.273724820461399
Energy: 1.278765601057088
Energy: 1.2776609223859106
Energy: 1.54881571120071
Energy: 1.5278741568468903
Energy: 1.2846132195570004
Energy: 1.283995239450579
Energy: 1.2672547846433135
Energy: 1.2803314224815447
Energy: 1.453094889317784
Energy: 1.4801796424910592
Energy: 1.2823194425268691
Energy: 1.282416876155431
Energy: 1.270190647841702
Energy: 1.2857770943478573
Energy: 1.3808411606146782
Energy: 1.623839095142094
Energy: 1.728374833306367
Energy: 1.2728670393703665
Energy: 1.2688999306360171
Energy: 1.2774450110833384
Energy: 1.7316447415697704
Energy: 1.5158040949180318
Energy: 1.5811121301413844
Energy: 1.3812816571833535
Energy: 1.4242456569727664
Energy: 1.3806095283199864
Energy: 1.5237823392664114
Energy: 1.4376189945469708
Energy: 1.438671931710684
Energy: 1.7231711603452025
Energy: 1.6144691304117624
Energy: 1.5385899898392716
Energy: 1.4411621776261982
Energy: 1.4709178791772715
Energy: 1.3820963242721778
Energy: 1.2743211789049425
Energy: 1.2783276076609813
Energy: 1.3819904596604815
Energy: 1.270375867663484
Energy: 1.744280831076884
Energy: 1.3801605775063546
Energy: 1.3712820482911703
Energy: 1.3671711497013577
Energy: 1.3812127750225114
Energy: 1.2756062339774612
Energy: 1.3667463949340883
Energy: 1.3905448116642238
Energy: 1.4141238695066751
Energy: 1.381712321827848
Energy: 1.4138884849024538
Energy: 1.4172724467862434
Energy: 1.3775888095545312
Energy: 1.4405180709496763
Energy: 1.3797163530596173
Energy: 1.3819253331405397
Energy: 1.3092967393356156
Energy: 1.4120994379126222
Energy: 1.3773805638134191
Energy: 1.4139741552465503
Energy: 1.3078865071249641
Energy: 1.4167136984159865
Energy: 1.4226836627060018
Energy: 1.4317871149486643
Energy: 1.3675100362247932
Energy: 1.3807383985961037
Energy: 1.3803894651914197
Energy: 1.6261672462553782
Energy: 1.3816882105802577
Energy: 1.3728419715323483
Energy: 1.2820902034529826
Energy: 1.4298025380158932
Energy: 1.4267797347968174
Energy: 1.6415492106707734
Energy: 1.383929201651814
Energy: 1.2788077979504002
Energy: 1.6843171913367994
Energy: 1.6023527325658593
Energy: 1.4410088719704035
Energy: 1.5558922411811507
Energy: 1.4214591801037975
Energy: 1.481409304442206

minimum gb energy = 1.2546401655653148 eV
minimum distance =  2.19794070334709 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.198176644785077
Energy: 1.9143805926624196
Energy: 1.4571725299330063
Energy: 1.4479324656994534
Energy: 1.5380483894954633
Energy: 1.9235199511700405
Energy: 1.2985672734728078
Energy: 1.3649456362729322
Energy: 1.3638182269210946
Energy: 1.3177467966198255
Energy: 1.377634420768122
Energy: 1.3643733114364576
Energy: 1.3104680471021521
Energy: 1.3282290352793313
Energy: 1.343967105807564
Energy: 1.3295100731408889
Energy: 1.3454479140734061
Energy: 1.3471270918605567
Energy: 1.315535835561055
Energy: 1.3473779476220262
Energy: 1.4858481395998133
Energy: 1.3178957560418816
Energy: 1.3399634178730275
Energy: 1.3265688876548598
Energy: 1.3119177328899547
Energy: 1.3300307047633204
Energy: 1.3780520262307463
Energy: 1.3175220491636341
Energy: 1.3558196884826765
Energy: 1.3264139899876153
Energy: 1.316331723866142
Energy: 1.346950848636793
Energy: 1.6305295750706459
Energy: 1.3168831170766468
Energy: 1.6347356224554817
Energy: 1.314484406766249
Energy: 1.378050940917152
Energy: 1.3744946472065382
Energy: 1.3245802621571574
Energy: 1.3113128757324068
Energy: 1.3723498361865072
Energy: 1.3445660123163845
Energy: 1.3117544539977577
Energy: 1.344063535203803
Energy: 1.312870447833098
Energy: 1.3182102210448738
Energy: 1.3211865866554795
Energy: 1.3622775684367672
Energy: 1.3161404600227313
Energy: 1.3324850034015752
Energy: 1.6664894984683145
Energy: 1.2986387165633668
Energy: 1.6278022837925243
Energy: 1.318601188981712
Energy: 1.3102052549338192
Energy: 1.3372861207609568
Energy: 1.3277481268541895
Energy: 1.2989372919726603
Energy: 1.374570814182943
Energy: 1.3123357150234347
Energy: 1.2984822625233654
Energy: 1.3436308941010322
Energy: 1.3659445520521472
Energy: 1.3171692818588285
Energy: 1.3603212819839643
Energy: 1.3464399222475596
Energy: 1.2980105268126518
Energy: 1.3768937452811563
Energy: 1.3278205604606663
Energy: 1.3142248825787808
Energy: 1.3539234542892153
Energy: 1.3755286045908566
Energy: 1.31230263590505
Energy: 1.3407346161644962
Energy: 1.3391209647773323
Energy: 1.3268449229556603
Energy: 1.340357921930126
Energy: 1.319684437801772
Energy: 1.316541582888259
Energy: 1.3475851886500707
Energy: 1.3138242195747172
Energy: 1.313534118892661
Energy: 1.3612109592031405
Energy: 1.6286043079866073
Energy: 1.3164514808312637
Energy: 1.37857795949497
Energy: 1.4844008731731477
Energy: 1.3168559275392886
Energy: 1.3633087012630272
Energy: 1.3137189648466996
Energy: 1.5247776824822037
Energy: 1.327090330595361
Energy: 1.3290294615405773
Energy: 1.6198484353400833
Energy: 1.3295168543570417
Energy: 1.5389057705186575
Energy: 1.3000680402218634
Energy: 1.36828568610714
Energy: 1.362933284550208
Energy: 1.3111263445755683
Energy: 1.3771625224919548
Energy: 1.3212371540848062

minimum gb energy = 1.2980105268126518 eV
minimum distance =  2.2359050494788 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.3853314118742106
Energy: 1.4209360009726875
Energy: 1.4624937701430354
Energy: 1.46323848010779
Energy: 1.462943222407702
Energy: 2.0036557920814784
Energy: 1.3374150993859206
Energy: 1.4462716803740332
Energy: 1.4458891070300095
Energy: 1.3804116846723717
Energy: 1.5189155223048254
Energy: 1.4145000929683758
Energy: 1.3437409815812238
Energy: 1.34346300931665
Energy: 1.428217181115786
Energy: 1.429309559884964
Energy: 1.4446082665474913
Energy: 1.341983677306398
Energy: 1.380927749057582
Energy: 1.4375553968712025
Energy: 1.3710169229267093
Energy: 1.3481753289896217
Energy: 1.4329344217922464
Energy: 1.3677892684821766
Energy: 1.3699413300923562
Energy: 1.3837551412625178
Energy: 1.3707852027157066
Energy: 1.371558091725314
Energy: 1.3676040877714795
Energy: 1.3838891586727489
Energy: 1.349068090836086
Energy: 1.3691088984188473
Energy: 1.3837542716202922
Energy: 1.3744010355541825
Energy: 1.397402599715474
Energy: 1.3660811479492252
Energy: 1.378967594354938
Energy: 1.4484688147310945
Energy: 1.3675944073142636
Energy: 1.3783604575630972
Energy: 1.368503371114961
Energy: 1.408400327455329
Energy: 1.379501033447807
Energy: 1.4993961862326683
Energy: 1.3429623950658913
Energy: 1.3421775782602818
Energy: 1.3425948771678644
Energy: 1.504329160593926
Energy: 1.3485017211275057
Energy: 1.3712883138510612
Energy: 1.5024951174690575
Energy: 1.3777021029542482
Energy: 1.4959592691615589
Energy: 1.3511700054229925
Energy: 1.3426894227680906
Energy: 1.3447731838817953
Energy: 1.5000626995888693
Energy: 1.3782660516937877
Energy: 1.4966540151614165
Energy: 1.4156909268941995
Energy: 1.3376035635114496
Energy: 1.4994561383483223
Energy: 1.3538451162708651
Energy: 1.3424601976298591
Energy: 1.3614366373603095
Energy: 1.427140723523752
Energy: 1.3400824845380956
Energy: 1.5029844418147773
Energy: 1.3712754547925545
Energy: 1.3902401859787605
Energy: 1.3958569081256198
Energy: 1.4308164536007622
Energy: 1.3416486999139237
Energy: 1.3424605650783763
Energy: 1.5039345199284766
Energy: 1.3940696659423886
Energy: 1.451119329345653
Energy: 1.3431355110318002
Energy: 1.3420667450693966
Energy: 1.369654654543401
Energy: 1.4506266796540421
Energy: 1.3906467898117751
Energy: 1.46121079851425
Energy: 1.3814697894091983
Energy: 1.3694960571339192
Energy: 1.3856142681929404
Energy: 1.3654747590432867
Energy: 1.347858872898597
Energy: 1.3665057720488143
Energy: 1.3855940915038776
Energy: 1.3694157730965355
Energy: 1.369159621754244
Energy: 1.3813397541816015
Energy: 1.3841988234434324
Energy: 1.3928907879907666
Energy: 1.3677236429264406
Energy: 1.3499121455992225
Energy: 1.4085615351031862
Energy: 1.367565017339641
Energy: 1.3663618581280148
Energy: 1.4441150578234636
Energy: 1.4178745483418391
Energy: 1.3829537124599223
Energy: 1.4565090640122682
Energy: 1.3434460204283714
Energy: 1.3424117553997568
Energy: 1.3465641735738687
Energy: 1.729504864815961
Energy: 1.3875122720337614
Energy: 1.4026503274511577
Energy: 1.4830573592982175
Energy: 1.3491691613457097
Energy: 1.5164926940024943
Energy: 1.3701570782899313
Energy: 1.3490910556258182
Energy: 1.3496269747714709
Energy: 1.4095920308241487
Energy: 1.7169266762583089
Energy: 1.3577527727469159
Energy: 1.3488797211065473
Energy: 1.3379164045327707
Energy: 1.5109616800480559
Energy: 1.3683395359623383
Energy: 1.3432279898846113
Energy: 1.447445825304277
Energy: 1.3695564184914244

minimum gb energy = 1.3374150993859206 eV
minimum distance =  2.23612092828224 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.6180274413122155
Energy: 1.436960169349911
Energy: 1.476925088516122
Energy: 1.4746725507380052
Energy: 1.4767445947966589
Energy: 1.7741572360241493
Energy: 1.3572119856288323
Energy: 1.5104567491290481
Energy: 1.3798469814419934
Energy: 1.3701422226422832
Energy: 1.5837029244142231
Energy: 1.4259663721484894
Energy: 1.358009382858851
Energy: 1.3673809572056694
Energy: 1.5677485080543485
Energy: 1.6373603105248122
Energy: 1.4614319361631098
Energy: 1.3654764154221597
Energy: 1.359511553185596
Energy: 1.4825538544094903
Energy: 1.5112792894272622
Energy: 1.371078436957381
Energy: 1.4968889045391203
Energy: 1.3648300651952912
Energy: 1.368108559723128
Energy: 1.4624739695444386
Energy: 1.380480701878018
Energy: 1.3914641654284006
Energy: 1.3816925836699252
Energy: 1.4518422998347393
Energy: 1.3476236102222727
Energy: 1.495587037058602
Energy: 1.4025792808182447
Energy: 1.3808830350470862
Energy: 1.4046913681947033
Energy: 1.3484112751459
Energy: 1.3624882353284682
Energy: 1.4302954006593633
Energy: 1.3859338738709104
Energy: 1.3866276636162407
Energy: 1.384566496327139
Energy: 1.4574680332749594
Energy: 1.363130219616741
Energy: 1.4562888951557278
Energy: 1.466197706745892
Energy: 1.3681292322853988
Energy: 1.405910563935825
Energy: 1.4576617000443204
Energy: 1.3454655476345039
Energy: 1.3609240880867182
Energy: 1.5120406126513364
Energy: 1.3682394947052747
Energy: 1.503575028944726
Energy: 1.3609452555019756
Energy: 1.3310870285677743
Energy: 1.4120342424862498
Energy: 1.5195865926502856
Energy: 1.3701939230758964
Energy: 1.5197500449532015
Energy: 1.4148453650441097
Energy: 1.3616358429521742
Energy: 1.4956754458064223
Energy: 1.4068637690661645
Energy: 1.3867363655848592
Energy: 1.3605993262419227
Energy: 1.8127221170627807
Energy: 1.360995483365642
Energy: 1.4998582388723594
Energy: 1.3503647552319837
Energy: 1.3449132564344164
Energy: 1.4542781933742748
Energy: 1.5031186445877167
Energy: 1.3314388252205982
Energy: 1.3345289212675666
Energy: 1.4953509004093046
Energy: 1.3153784930394823
Energy: 1.315607582790035
Energy: 1.3343267335414108
Energy: 1.3346659574573303
Energy: 1.3299565317302033
Energy: 1.502111970850814
Energy: 1.3457725650290093
Energy: 1.4985532585593546
Energy: 1.3510520706103615
Energy: 1.4062082578500366
Energy: 1.492678456306628
Energy: 1.3557036191788634
Energy: 1.3418146643734457
Energy: 1.3526022231792145
Energy: 1.569043717554997
Energy: 1.3476493311819897
Energy: 1.458124982678382
Energy: 1.3569675583781506
Energy: 1.4369846880163268
Energy: 1.4355724133756314
Energy: 1.3882395424076432
Energy: 1.330826278367335
Energy: 1.4275809146748735
Energy: 1.4813004839651185
Energy: 1.3885621710680105
Energy: 1.3429585214794462
Energy: 1.427348993754071
Energy: 1.3767522084380623
Energy: 1.3744339868549176
Energy: 1.5363835810589812
Energy: 1.3702132249331447
Energy: 1.4013378399667682
Energy: 1.3759146505501876
Energy: 1.3762490864895145
Energy: 1.3879395310175504
Energy: 1.48390883973877
Energy: 1.3661159551304538
Energy: 1.4574545215464811
Energy: 1.3872015823848067
Energy: 1.3828120133567665
Energy: 1.4211361305999426
Energy: 1.4569986450540793
Energy: 1.4586962297422195
Energy: 1.4592288310404613
Energy: 1.465288251721921
Energy: 1.3636352367221187
Energy: 1.4957234149053902
Energy: 1.370115753928405
Energy: 1.3673560235144893
Energy: 1.4971884022566024
Energy: 1.4557239378258797
Energy: 1.3556384031102406
Energy: 1.4640880583093703
Energy: 1.3713880717595632
Energy: 1.364014412693209
Energy: 1.4636209533857374
Energy: 1.778726423630827
Energy: 1.3645714271843294
Energy: 1.3684165458549753
Energy: 1.5846797538038184
Energy: 1.3608190263591748
Energy: 1.5945941382646602
Energy: 1.3666549430878867
Energy: 1.3577696124718803
Energy: 1.395426198524032
Energy: 1.5533200796300428
Energy: 1.3618052542193295
Energy: 1.3982395679804605
Energy: 1.3559850962360114
Energy: 1.3583193571552823
Energy: 1.581417850766235
Energy: 1.4593298314909375
Energy: 1.4485553869509986
Energy: 1.3871031646272503
Energy: 1.5856036205609791

minimum gb energy = 1.3153784930394823 eV
minimum distance =  2.21659805436928 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.538973356817588
Energy: 1.380766420730336
Energy: 1.4264105504450382
Energy: 1.425912752803176
Energy: 1.4259162404324817
Energy: 1.3157501184804974
Energy: 1.2893061999547077
Energy: 1.4495474622536337
Energy: 1.3451119324235445
Energy: 1.3312739812641101
Energy: 1.609469224407092
Energy: 1.3849499066779922
Energy: 1.2879416068903586
Energy: 1.3392758478638913
Energy: 1.5724179529051419
Energy: 1.519230319646511
Energy: 1.3374636811597838
Energy: 1.3375350461396736
Energy: 1.291009689969647
Energy: 1.5164888779323065
Energy: 1.4630128454868832
Energy: 1.3311773249076255
Energy: 1.4618109587654988
Energy: 1.3395543159407088
Energy: 1.2675300912357936
Energy: 1.4640021173901276
Energy: 1.3457311598766344
Energy: 1.32180420913621
Energy: 1.345632801811843
Energy: 1.4631046159984604
Energy: 1.292177186821039
Energy: 1.388492845723227
Energy: 1.3454938693115797
Energy: 1.2900271850174019
Energy: 1.3450317043124254
Energy: 1.294812770366137
Energy: 1.2999305324220143
Energy: 1.3533734703595202
Energy: 1.3492524845563003
Energy: 1.355698340649006
Energy: 1.36362328624839
Energy: 1.354202668395868
Energy: 1.3001668866248344
Energy: 1.354057121945522
Energy: 1.4687109745302276
Energy: 1.2906182254273906
Energy: 1.3540350811977178
Energy: 1.3549418614563604
Energy: 1.3160277611220594
Energy: 1.355487524702176
Energy: 1.409339458265196
Energy: 1.3014941673640705
Energy: 1.3555799142486074
Energy: 1.3551370389053372
Energy: 1.3000762687405059
Energy: 1.4203246679114097
Energy: 1.4702589739417802
Energy: 1.2901483722514266
Energy: 1.4701891962994202
Energy: 1.3659018945111985
Energy: 1.2769092333787553
Energy: 1.3667151854725657
Energy: 1.3075117986472375
Energy: 1.3063162858613515
Energy: 1.3077750493586353
Energy: 1.543259319403832
Energy: 1.2997981183150797
Energy: 1.548910313469225
Energy: 1.388376144282578
Energy: 1.2941079508561206
Energy: 1.3669186730810663
Energy: 1.548436052278733
Energy: 1.300553858264707
Energy: 1.3435450075541848
Energy: 1.3915068152600376
Energy: 1.28484158533854
Energy: 1.4224006388833084
Energy: 1.301099930360022
Energy: 1.2560834591757049
Energy: 1.350431749802174
Energy: 1.5292182356789241
Energy: 1.291861287938506
Energy: 1.5230683456490193
Energy: 1.2570852469667169
Energy: 1.2730069857854969
Energy: 1.2820557901033116
Energy: 1.2952333458819856
Energy: 1.2940012820801448
Energy: 1.2931866149482119
Energy: 1.5261488003099963
Energy: 1.2561595547317765
Energy: 1.5274821553651539
Energy: 1.3183660253232632
Energy: 1.293440791977206
Energy: 1.2838548780116612
Energy: 1.5240820379934756
Energy: 1.25592680603732
Energy: 1.3058525749684362
Energy: 1.5737922527931623
Energy: 1.6359202098747867
Energy: 1.5313880104317212
Energy: 1.305936880407723
Energy: 1.2949054363867303
Energy: 1.4166250135124854
Energy: 1.4727637438273675
Energy: 1.325770699651445
Energy: 1.4344818581380576
Energy: 1.3410205133617392
Energy: 1.2678397197680173
Energy: 1.4562275077519231
Energy: 1.4098823948176118
Energy: 1.2934849843732474
Energy: 1.418668957509601
Energy: 1.456390541643941
Energy: 1.2932483504039323
Energy: 1.4906514619725182
Energy: 1.3174540792654525
Energy: 1.3167082834403518
Energy: 1.3161580908617312
Energy: 1.396387240707146
Energy: 1.2931256942134342
Energy: 1.4827716771769501
Energy: 1.3582094282518014
Energy: 1.3640625640328912
Energy: 1.360699792491539
Energy: 1.3594535754084607
Energy: 1.2932322495010737
Energy: 1.359879401411887
Energy: 1.4387822179879746
Energy: 1.2908640859972929
Energy: 1.4335681151508106
Energy: 1.3609550581141294
Energy: 1.2934228797780631
Energy: 1.3480807074706838
Energy: 1.4642722532107986
Energy: 1.2902084283046202
Energy: 1.3912876185509375
Energy: 1.3493679438702417
Energy: 1.3001713060252555
Energy: 1.3480287317448587
Energy: 1.4646195060108185
Energy: 1.2903604026652795
Energy: 1.4619567390077108
Energy: 1.3482648659204528
Energy: 1.300518717946733
Energy: 1.4616888157539156
Energy: 1.3358193253392054
Energy: 1.2904375414464417
Energy: 1.3385221502520304
Energy: 1.4616041777038709
Energy: 1.276072368236767
Energy: 1.447698583366138
Energy: 1.3359383919964274
Energy: 1.287705834957298
Energy: 1.3355994469917847
Energy: 1.6215515759787396
Energy: 1.3008774515019943
Energy: 1.3498878559574221
Energy: 1.6158077073321855
Energy: 1.2856545512826576
Energy: 1.615486650835494
Energy: 1.3003865528342986
Energy: 1.2881925820408817
Energy: 1.3260614551287158
Energy: 1.3926850562193647
Energy: 1.2846609503073345
Energy: 1.3517483710401916
Energy: 1.2895823324625888
Energy: 1.3258624035138813
Energy: 1.6235302038169466
Energy: 1.4418792091493762
Energy: 1.3977713503917313
Energy: 1.4024784906140766
Energy: 1.613236220993594

minimum gb energy = 1.25592680603732 eV
minimum distance =  2.21826552020815 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.4625105164993295
Energy: 1.259796300171861
Energy: 1.3041172782942336
Energy: 1.330146447367781
Energy: 1.3269362067993178
Energy: 1.5682047679560198
Energy: 1.2091476474680762
Energy: 1.417500342754928
Energy: 1.2117556676959746
Energy: 1.2389359520804968
Energy: 1.6001019764330056
Energy: 1.2111776020414506
Energy: 1.2217305526083415
Energy: 1.2333411555252893
Energy: 1.5415660556351904
Energy: 1.542522652920433
Energy: 1.2958366483088222
Energy: 1.2225348981962048
Energy: 1.2337661994480011
Energy: 1.55000331101695
Energy: 1.3776495142071903
Energy: 1.210942376716799
Energy: 1.4573349601523544
Energy: 1.3163450136274994
Energy: 1.2072809620227354
Energy: 1.3816629654841932
Energy: 1.3069005943249496
Energy: 1.2169333854969557
Energy: 1.308126791929327
Energy: 1.377925966520657
Energy: 1.233497539467167
Energy: 1.3356237468827603
Energy: 1.3092633053093914
Energy: 1.2107579450296557
Energy: 1.3078376727382948
Energy: 1.2370833567745074
Energy: 1.233742048793831
Energy: 1.2839765867391235
Energy: 1.3362436778102507
Energy: 1.34294635662504
Energy: 1.353482940115901
Energy: 1.283697767190586
Energy: 1.2212590840470259
Energy: 1.285265993182395
Energy: 1.2106217737357818
Energy: 1.2116180846015698
Energy: 1.2847423933957187
Energy: 1.2840669702634424
Energy: 1.2520936340246214
Energy: 1.2853247110416213
Energy: 1.3356248781410622
Energy: 1.2388684507909984
Energy: 1.30252764105695
Energy: 1.2839800240820767
Energy: 1.2339475933141675
Energy: 1.4037445021524828
Energy: 1.3361151874488837
Energy: 1.212399204176646
Energy: 1.3360147929104818
Energy: 1.3121428075826642
Energy: 1.2342209992241044
Energy: 1.3046941560562213
Energy: 1.2478157434216548
Energy: 1.2459352826234926
Energy: 1.3083505685250163
Energy: 1.4621494751107706
Energy: 1.2335811656740567
Energy: 1.4569325592811726
Energy: 1.4476200209804821
Energy: 1.2149573914532754
Energy: 1.4500297082803904
Energy: 1.4608548829795758
Energy: 1.2348234784718484
Energy: 1.301925285103565
Energy: 1.2948027192515248
Energy: 1.2308271534530533
Energy: 1.3018543021616018
Energy: 1.235304057726054
Energy: 1.2145948684730312
Energy: 1.3090880688102353
Energy: 1.598848086703721
Energy: 1.2299754413386192
Energy: 1.6147619170813274
Energy: 1.3085273657777
Energy: 1.2362351190736052
Energy: 1.211243830592671
Energy: 1.213007364616816
Energy: 1.238743870692971
Energy: 1.2124180820171047
Energy: 1.4142707826591838
Energy: 1.2434316454264838
Energy: 1.5996404590102136
Energy: 1.3731011788446876
Energy: 1.2138204838759332
Energy: 1.399093880776859
Energy: 1.2766684453594548
Energy: 1.3048155499044545
Energy: 1.2163320259627581
Energy: 1.2612656231845851
Energy: 1.539699896021396
Energy: 1.2166562523490392
Energy: 1.219511735620612
Energy: 1.2384417063101474
Energy: 1.4011274172043575
Energy: 1.5990053235741641
Energy: 1.208923305773481
Energy: 1.6141480779494095
Energy: 1.2125558372720515
Energy: 1.2516690085016533
Energy: 1.4903663229124362
Energy: 1.2792263114447238
Energy: 1.2196831809917814
Energy: 1.2794204942045324
Energy: 1.5436099401027255
Energy: 1.252758915527967
Energy: 1.5185702334113598
Energy: 1.304038372627171
Energy: 1.2340665544241072
Energy: 1.2953923875363929
Energy: 1.378119369077916
Energy: 1.2107043751537663
Energy: 1.378001098797787
Energy: 1.4631597209787541
Energy: 1.3767368003261917
Energy: 1.446520467978267
Energy: 1.3715390623372297
Energy: 1.2118708905696811
Energy: 1.3089071149304032
Energy: 1.3640629184224824
Energy: 1.2329570125343299
Energy: 1.3082796808053303
Energy: 1.2465895548827064
Energy: 1.239081295367646
Energy: 1.3354418839908702
Energy: 1.3487617381219883
Energy: 1.2211698044786266
Energy: 1.34918044127345
Energy: 1.3418428234375004
Energy: 1.2124382396438558
Energy: 1.304438310254776
Energy: 1.2835114996358363
Energy: 1.2351934901834378
Energy: 1.2850227152093632
Energy: 1.3278162834262481
Energy: 1.21120983111379
Energy: 1.3038204342930326
Energy: 1.2836575128090404
Energy: 1.284699546115044
Energy: 1.283541243549336
Energy: 1.3046389944751648
Energy: 1.2385161926436603
Energy: 1.3354310473266855
Energy: 1.4032508684109752
Energy: 1.2351530313359005
Energy: 1.411371611437522
Energy: 1.3375062671135791
Energy: 1.2115508524343868
Energy: 1.3083710416540948
Energy: 1.3075567326243762
Energy: 1.233030551033498
Energy: 1.30793986695092
Energy: 1.247138129340216
Energy: 1.2461647167122802
Energy: 1.3084208630104384
Energy: 1.459614789576814
Energy: 1.233808120721505
Energy: 1.459469031211052
Energy: 1.2479782382846487
Energy: 1.2305889146960247
Energy: 1.5177132170577994
Energy: 1.2314051674912665
Energy: 1.235149798700999
Energy: 1.2314785272061044
Energy: 1.5170620392965382
Energy: 1.2301809217953372
Energy: 1.3036145228315972
Energy: 1.215892113693624
Energy: 1.2155780594007595
Energy: 1.2785590890825205
Energy: 1.6118668228115278
Energy: 1.238925757184938
Energy: 1.2116003800873807
Energy: 1.6164323281373387
Energy: 1.2427007969437314
Energy: 1.38890008796972
Energy: 1.2120662220276661
Energy: 1.2145444366606137
Energy: 1.3100294612576642
Energy: 1.6127208814818164
Energy: 1.2430417822043816
Energy: 1.2130126045682703
Energy: 1.2146772443281917
Energy: 1.2579847731369553
Energy: 1.2116358405707481
Energy: 1.2798543862796825
Energy: 1.3045569490324758
Energy: 1.279922529987798
Energy: 1.5413494710844484

minimum gb energy = 1.2072809620227354 eV
minimum distance =  2.21136906968271 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014416825660434963
Energy: 0.015224051531583533
Energy: 0.09047270183454657
Energy: 0.0902104839234955
Energy: 0.09191209520445377
Energy: 0.015111761997340819
Energy: 0.014551529319425383
Energy: 0.10489372554729495
Energy: 0.1047597550524591
Energy: 0.10596959163650972
Energy: 0.10394249440883661
Energy: 0.10539118088419544
Energy: 0.8613561004345244
Energy: 0.09389451991418207
Energy: 0.01506532050420187
Energy: 0.016569940775973933
Energy: 0.09173079516634887
Energy: 0.09013913002032105
Energy: 0.10389564827045863
Energy: 0.10489372554800584
Energy: 0.1047597550524591
Energy: 0.1059695916357988
Energy: 0.10394249440812572
Energy: 0.10539118088419544

minimum gb energy = 0.014416825660434963 eV
minimum distance =  2.44469844766868 Angstroms
sigma value = 1